Estradiol

CAS Number: 50-28-2

Molecular Mass: 272.4 g/mol

Formula: C₁₈H₂₄O₂

Smiles: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

Synonymes:

Estradiol, estradiol, beta-Estradiol, 50-28-2, 17beta-Estradiol, Oestradiol, Dihydrofolliculin, Estrace, Aquadiol, Diogynets, Divigel, Vivelle, Diogyn, Dihydrotheelin, Dihydroxyestrin, Dimenformon, Estraderm, Femestral, Gynoestryl, Aerodiol, Climara, Gynergon, Vagifem, Estraldine, Estrogel, Evorel, Estring, Systen, Zumenon, estradiol-17beta, cis-Estradiol, Compudose, Innofem, Alora, Fempatch, Gynodiol, Ovocylin, Esclim, 17beta-Oestradiol, Elestrin, Evamist, Menostar, 17-beta-estradiol, 3,17-Epidihydroxyestratriene, Estraderm TTS 50, Estraderm MX, VIVELLE-DOT, Estra-1,3,5(10)-triene-3,17beta-diol, NSC-9895, Oestradiol-17beta, (17beta)-Estra-1,3,5(10)-triene-3,17-diol, 17 beta-Estradiol, 17beta oestradiol, Estradiol-17 beta, Elestrim, Minivelle, Estradiol Anhydrous, Estradiol 17-beta, 17-beta-oestradiol, (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estraderm TTS 100, NSC-20293, IMVEXXY, DTXSID0020573, Estradiol valerate metabolite e2, CHEBI:16469, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, S21400 (INTRANASAL), 4TI98Z838E, 3,17beta-Dihydroxyestra-1,3,5(10)-triene, 17beta-Estra-1,3,5(10)-triene-3,17-diol, WC3011, WC-3011, s21400, DTXCID80573, CHEBI:23965, NSC9895, ORIAHNN COMPONENT ESTRADIOL, S 21400, Aquagen, Gvnodiol, Gynogen, Sandrena, Yuvafem, Bedol, NSC20293, Adgyn estro, Elleste solo, Progynova ts, Estradiol Gel, Estradiol pellet, Estradiol,, E-Cypionate, Vivelle Dot, Estradiol Vaginal, Estrogen 4X, Dermestril 25, Dermestril 50, Estradiol 17beta, Vagifem 8, Estraderm mx 25, Estraderm mx 50, Estraderm mx 75, Fematrix 40, Fematrix 80, Femseven 50, Femseven 75, Menorest 50, Menorest 75, Menoring 50, Dermestril 100, Estraderm tts 25, estradiol valeriante, (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,17-diol, Vagifem 18, 17 beta Estradiol, Estradiol 17 beta, Femseven 100, 17 beta Oestradiol, 17 beta-Oestradiol, Estraderm mx 100, Estradiol 1557, Estradiol 17 alpha, Estradiol Transdermal, Evorel 25, Evorel 50, Evorel 75, Therapeutic Estradiol, DOTTI, LYLLANA, Menorest 37.5, Elleste solo mx 40, Elleste solo mx 80, Estra-25, Estra-50, Dermestril septem 25, Dermestril septem 50, Dermestril septem 75, Evorel 100, Estradiol Gel 0.1%, Estradiol Vaginal Cream, RefChem:6428, ESTROGEN PHENOLIC, Estradiol, (17-alpha)-, Estradiol Transdermal System, ESTRADIOL VAGINAL INSERTS, (1S,10R,11S,14S,15S)-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5-triene-5,14-diol, 200-023-8, Benzhormovarine, progynon, Ovocyclin, Follicyclin, Bardiol, Corpagen, Estrovite, Ginosedol, Lamdiol, Macrodiol, Oestergon, Ovahormon, Ovasterol, Ovastevol, Perlatanol, Primofol, Profoliol, Syndiol, Altrad, Dihydromenformon, Oestroglandol, Nordicol, Estroclim, Trocosone, Menorest, D-Oestradiol, D-Estradiol, Estraderm TTS, Progynon DH, Progynon-DH, Climaderm, Dermestril, Ovocycline, Encore, Oesclim, Dihydroxyoestrin, SK-Estrogens, Gynestrel, Microdiol, Oestrogynal, Ovociclina, Tradelia, Estroclim 50, Macrol, Zerella, Oestradiol R, Estring vaginal ring, Trial SAT, Theelin, dihydro-, Oestrogel, Compudose 200, Compudose 365, Profoliol B, Estradiol-17-beta, Estradot, Gelestra, Zesteem, Dihydroxyesterin, cis-Oestradiol, 17.beta.-Estradiol, B-Estradiol, 17b-Oestradiol, Epiestriol 50, Femanest, 3,17-Epidihydroxyoestratriene, Sandrena 1, Estraderm (TN), [3H]-estradiol, 17|A-Oestradiol, Estrogel (TN), Climara (TN), Divigel (TN), Estrace (TN), Estring (TN), Innofem (TN), Vagifem (TN), Vivelle (TN), 17.beta.-Oestradiol, 3,17.beta.-Estradiol, .beta.-Estradiol, .beta.-Oestradiol, [3H]]estradiol, MFCD00003693, (17beta)-estra-1(10),2,4-triene-3,17-diol, Estradiol (Standard), Estradiol, .beta.-, Estradiol-17.beta., Oestradiol-17.beta., 17-.beta.-oestradiol, Oestra-1,3,5(10)-triene-3,17beta-diol, 17|A-estradiol, Estrasorb (TN), 17.beta.-OH-estradiol, 17.beta.-OH-oestradiol, 17beta estradiol (E2), Extrasorb, Estreva, Estrifam, Femtran, Ginedisc, CHEMBL135, GynPolar, Sandrena Gel, D-3,17.beta.-Estradiol, D-3,17.beta.-Oestradiol, Sisare Gel, Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, Estrofem 2, MLS000069494, 3,17b-Dihydroxyestra-1,3,5(10)-triene, (+)-3,17.beta.-Estradiol, Oestradiolum, Climara Forte, Oestradiol Berco, [3H]E2, 17 ?-Estradiol, Estrapak 50, (8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, Estradiolum [INN], Estradiolo [DCIT], NCGC00091544-04, Oestradiol-17-beta, Estradiolum, Estrodiolum, Estradiolo, Femestrol, SMR000059126, Estradiol-3,17beta, 17-beta-OH-estradiol, 3,17-beta-Estradiol, 3,17-beta-Oestradiol, D-3,17beta-Estradiol, 3,17.beta.-Dihydroxyestra-1,3,5(10)-triene, E(sub 2), Methyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate., Benzogynestry, Estropause, Estasorb, [2,4,6,7-3H]-E2, 17916-67-5, E 2, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, (+/-)-, Yuvvexy, Zesteen, .alpha.-Estradiol, 17-beta-OH-oestradiol, D-3,17beta-Oestradiol, D-3,17-beta-Estradiol, Estrodiolum [INN-Latin], Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, D-3,17-beta-Oestradiol, Activella (Salt/Mix), Combipatch (Salt/Mix), (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol, E2, CCRIS 280, component of Menrium, Climara Pro (Salt/Mix), 3,17beta-Estradiol, 3,17-.beta.-Oestradiol, HSDB 3589, 3,3,5(10)-triene, rec IFN-gamma (human), SR-01000075866, 17-.BETA.-Estradiol, EINECS 200-023-8, 1,3,5-Estratriene-3,17-beta-diol, oestrodiol, Estradiol [USP:INN:BAN], 3,17beta-Dihydroxyestra-1,3,5-triene, 3,17beta-Dihydroxyoestra-1,3,5-triene, delta-Estradiol, dihydro-Theelin, dl-estradiol, 3,17-beta-Dihydroxyoestra-1,3,5-triene, UNII-4TI98Z838E, beta -estradiol, delta-Oestradiol, TX-004HR, 1,3,5-Estratriene-3,17beta-diol, Estra-1,3,5(10)-triene-3,17-beta-diol, Estrogel HBF, Oestra-1,3,5(10)-triene-3,17-beta-diol, 1jgl, 1lhu, 1qkt, 1qku, 3,17-beta-Dihydroxyestra-1,3,5(10)-triene, [3H]estradiol, 1,3,5-Estratriene-3,17.beta.-diol, 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene, CAS-50-28-2, 17-beta-Estra-1,3,5(10)-triene-3,17-diol, 17beta-Oestra-1,3,5(10)-triene-3,17-diol, .alpha.-Oestradiol, 17-beta-Oestra-1,3,5(10)-triene-3,17-diol, Prestwick_207, 3,17b-Estradiol, Bio-E-Gel, Fem7, [3H]-Estrogen, 3,17.beta.-Dihydroxyestra-1,3,5-triene, 3,17.beta.-Dihydroxyoestra-1,3,5-triene, CMC_11154, Estradiol-17 alpha, 1,3,5,(10)-Estratrien-3,17.beta.-diol, SL-1100, 17 .beta.-estradiol, Beta-estradiol (E2), Estra-1,3,5(10)-triene-3,17.beta.-diol, Oestra-1,3,5(10)-triene-3,17.beta.-diol, 2j7x, 3,17.beta.-Dihydroxy-1,3,5(10)-estratriene, 3,17.beta.-Dihydroxy-1,3,5(10)-oestratriene, 3,3,5-triene, [3H]17beta-estradiol, ESTRADIOL [INN], ESTRADIOL [JAN], 17.beta.-Estra-1,3,5(10)-triene-3,17-diol, ESTRADIOL [MI], ESTRADIOL [HSDB], 17.beta.-Oestra-1,3,5(10)-triene-3,17-diol, Opera_ID_1688, Prestwick0_000441, Prestwick1_000441, Prestwick2_000441, Prestwick3_000441, Spectrum5_002055, 17beta-estradiol (E2), ESTRADIOL [VANDF], alpha-estradiol (obsolete), beta-Estradiol, >=98%, bmse000642, Epitope ID:136018, Epitope ID:140085, (+)-3,17b-Estradiol, E 8875, EC 200-023-8, ESTRADIOL [USP-RS], ESTRADIOL [WHO-DD], SCHEMBL8049, (+)-3,17beta-Estradiol, Estradiol (JAN/USP/INN), Tritiated estradiol-17-beta, BIDD:PXR0065, Lopac0_000503, S-21400, BSPBio_000482, BSPBio_001065, KBioGR_000405, KBioGR_002269, KBioSS_000405, KBioSS_002270, MLS000758312, MLS001076331, MLS001424022, BIDD:ER0125, SPBio_002421, ESTRADIOL [GREEN BOOK], BPBio1_000532, GTPL1012, GTPL1013, orb1309940, orb3139628, SCHEMBL7525926, ESTRADIOL [ORANGE BOOK], NIOSH/KG7030000, SCHEMBL11037492, SCHEMBL29350151, BDBM17292, BIJUVA COMPONENT ESTRADIOL, HY-B0141R, KBio2_000405, KBio2_002269, KBio2_002973, KBio2_004837, KBio2_005541, KBio2_007405, KBio3_000769, KBio3_000770, KBio3_002749, ESTRADIOL [USP MONOGRAPH], MSK2212, 1a52, 1g50, 2d06, ANGELIQ COMPONENT ESTRADIOL, cMAP_000005, ESTRADIOL IMPURITY A [IP], PREFEST COMPONENT ESTRADIOL, Bio1_000403, Bio1_000892, Bio1_001381, Bio2_000363, Bio2_000843, CS336, GLXC-06851, HMS1362E07, HMS1569I04, HMS1792E07, HMS1990E07, HMS2051C17, HMS2090E18, HMS2096I04, HMS2236H04, HMS3261F07, HMS3403E07, HMS3713I04, HMS3884A08, 1,3,5-Estratriene-3,17b-diol, beta-Estradiol, analytical standard, (8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, ACTIVELLA COMPONENT ESTRADIOL, ESTRADIOL 17-BETA [VANDF], HY-B0141, Tox21_111148, Tox21_202057, Tox21_300288, Tox21_500503, 1,5-Estratriene-3,17.beta.-diol, COMBIPATCH COMPONENT ESTRADIOL, EBC-06093, HB2494, LMST02010001, MSK2212-100A, s1709, Estradiol for peak identification CRS, Estradiol-17-beta-6,7-(sup 3)H, [2,4,6,7-3H]-17beta-estradiol, AKOS015896570, CLIMARA PRO COMPONENT ESTRADIOL, MSK2212-1000A, CCG-100808, CS-1938, DB00783, FE10880, LP00503, NC00058, SDCCGSBI-0050487.P002, IDI1_002118, SMP1_000121, NCGC00091544-00, NCGC00091544-01, NCGC00091544-02, NCGC00091544-05, NCGC00091544-06, NCGC00091544-07, NCGC00091544-09, NCGC00091544-10, NCGC00091544-11, NCGC00091544-12, NCGC00091544-13, NCGC00091544-14, NCGC00091544-15, NCGC00091544-16, NCGC00091544-18, NCGC00091544-27, NCGC00179321-01, NCGC00179321-02, NCGC00254177-01, NCGC00259606-01, NCGC00261188-01, (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol, AC-22346, AS-13729, CPD000059126, FR108523, SY017569, Estra-1,3,5(10)-triene-3,17b-diol, Oestra-1,3,5(10)-triene-3,17b-diol, US9034854, E2, US9040509, E2, US9422324, E2, US9561238, E2, WLN: L E5 B666TTT&J E1 FQ OQ, 17 beta-Estradiol, 1mg/ml in Acetonitrile, DB-246618, Estra-1(10),2,4-triene-3,17beta-diol, Estra-1,5(10)-triene-3,17.beta.-diol, Estradiol, meets USP testing specifications, 3,17beta-dihydroxyestra-1,3,5(10)-trien, CS-0694760, Estra-1,3,5(10)-triene-3,17beta-diol-, EU-0100503, KG70300000, NS00008517, NS00115904, Oestra-1,5(10)-triene-3,17.beta.-diol, 3,17beta-Dihydroxy-1,3,5(10)-estratriene, Estradiol Solution in Acetonitrile, 100ug/mL, C00951, D00105, EN300-119518, Estradiol Solution in Acetonitrile, 1000ug/mL, (17b)-Estra-1,3,5(10)-triene-3,17-diol, 13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol, 17.beta.-Estra-1,5(10)-triene-3,17-diol, 17.beta.-Oestra-1,5(10)-triene-3,17-diol, ETHINYLESTRADIOL IMPURITY D [EP IMPURITY], 17-beta-Estradiol 100 microg/mL in Acetonitrile, F358087, Q422416, SR-01000721892, (17|_)-Estra-1,3,5(10)-triene-3,17-diol, (17|A)-Estra-1,3,5(10)-triene-3,17-diol, 13beta-Methyl-1,3,5(10)-gonatriene-3,17beta-ol, Estra-1,5(10)-triene-3,17-diol (17.beta.)-, ESTRADIOL BENZOATE IMPURITY A [EP IMPURITY], ESTRADIOL VALERATE IMPURITY A [EP IMPURITY], SR-01000075866-1, SR-01000075866-4, SR-01000721892-3, BRD-K18910433-001-04-4, BRD-K18910433-001-36-6, BRD-K18910433-001-43-2, estra-1(10),2,4-triene-3,17-diol, (17beta)-, Estra-1,5(10)-triene-3,17-diol, (17.beta.)-, Z1521553843, B8B5AEF5-4957-49EB-A14F-444A8212C482, beta-Estradiol, BioReagent, powder, suitable for cell culture, Estradiol, United States Pharmacopeia (USP) Reference Standard, 13.BETA.-METHYL-1,3,5(10)-GONATRIENE-3,17.BETA.-OL, beta-Estradiol, powder, gamma-irradiated, suitable for cell culture, Estra-1,3,5(10)-triene-3,17-diol, (6,7-(sup 3)H,17-beta)-, (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol, Estradiol, Pharmaceutical Secondary Standard, Certified Reference Material, (13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-beta-diol, |A-Estradiol, 1,3,5-?Estratriene-?3,17|A-diol, 17|A-Estradiol, 3,17|A-Dihydroxy-1,3,5(10)-estratriene, Dihydrofolliculin, Estradiol, Estriol EP Impurity D, Ethinylestradiol EP Impurity D, Estradiol Valerate EP Impurity A

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	273.15	-	3080.0	[250]
1-Butanol	278.15	-	3166.0	[250]
1-Butanol	283.15	-	3215.0	[250]
1-Butanol	288.15	-	3278.0	[250]
1-Butanol	293.15	-	3342.0	[250]
1-Butanol	298.15	-	3394.0	[250]
1-Butanol	303.15	-	3460.0	[250]
1-Butanol	308.15	-	3542.1	[250]
1-Butanol	313.15	-	3597.1	[250]
1-Butanol	318.15	-	3682.8	[250]
1-Propanol	273.15	-	2908.9	[250]
1-Propanol	278.15	-	2954.0	[250]
1-Propanol	283.15	-	2999.0	[250]
1-Propanol	288.15	-	3055.7	[250]
1-Propanol	293.15	-	3115.0	[250]
1-Propanol	298.15	-	3163.0	[250]
1-Propanol	303.15	-	3211.0	[250]
1-Propanol	308.15	-	3272.0	[250]
1-Propanol	313.15	-	3335.0	[250]
1-Propanol	318.15	-	3398.0	[250]
Acetone	273.15	-	2481.0	[250]
Acetone	278.15	-	2753.0	[250]
Acetone	283.15	-	2960.0	[250]
Acetone	288.15	-	3106.0	[250]
Acetone	293.15	-	3246.8	[250]
Acetone	298.15	-	3371.0	[250]
Acetone	303.15	-	3468.0	[250]
Acetone	308.15	-	3556.0	[250]
Acetone	313.15	-	3614.0	[250]
Acetone	318.15	-	3643.0	[250]
Acetonitrile	273.15	-	1109.0	[250]
Acetonitrile	278.15	-	1227.0	[250]
Acetonitrile	283.15	-	1366.0	[250]
Acetonitrile	288.15	-	1457.0	[250]
Acetonitrile	293.15	-	1559.0	[250]
Acetonitrile	298.15	-	1646.0	[250]
Acetonitrile	303.15	-	1733.0	[250]
Acetonitrile	308.15	-	1832.0	[250]
Acetonitrile	313.15	-	1914.0	[250]
Acetonitrile	318.15	-	1986.0	[250]
Chloroform	273.15	-	515.7	[250]
Chloroform	278.15	-	568.1	[250]
Chloroform	283.15	-	602.2	[250]
Chloroform	288.15	-	641.3	[250]
Chloroform	293.15	-	676.0	[250]
Chloroform	298.15	-	715.8	[250]
Chloroform	303.15	-	756.0	[250]
Chloroform	308.15	-	796.4	[250]
Chloroform	313.15	-	837.5	[250]
Chloroform	318.15	-	884.0	[250]
Dimethylformamide	273.15	-	4201.0	[250]
Dimethylformamide	278.15	-	4334.8	[250]
Dimethylformamide	283.15	-	4454.8	[250]
Dimethylformamide	288.15	-	4560.0	[250]
Dimethylformamide	293.15	-	4649.0	[250]
Dimethylformamide	298.15	-	4723.3	[250]
Dimethylformamide	303.15	-	4792.8	[250]
Dimethylformamide	308.15	-	4888.0	[250]
Dimethylformamide	313.15	-	4943.0	[250]
Dimethylformamide	318.15	-	5000.0	[250]
Ethanol	273.15	-	2743.0	[250]
Ethanol	278.15	-	2835.0	[250]
Ethanol	283.15	-	2903.0	[250]
Ethanol	288.15	-	2961.0	[250]
Ethanol	293.15	-	3023.0	[250]
Ethanol	298.15	-	3070.0	[250]
Ethanol	303.15	-	3104.0	[250]
Ethanol	308.15	-	3151.0	[250]
Ethanol	313.15	-	3186.0	[250]
Ethanol	318.15	-	3207.0	[250]
Ethyl acetate	273.15	-	2140.0	[250]
Ethyl acetate	278.15	-	2277.0	[250]
Ethyl acetate	283.15	-	2414.0	[250]
Ethyl acetate	288.15	-	2526.0	[250]
Ethyl acetate	293.15	-	2622.0	[250]
Ethyl acetate	298.15	-	2711.0	[250]
Ethyl acetate	303.15	-	2769.0	[250]
Ethyl acetate	308.15	-	2828.0	[250]
Ethyl acetate	313.15	-	2887.0	[250]
Ethyl acetate	318.15	-	2924.0	[250]
Isopropanol	273.15	-	3320.0	[250]
Isopropanol	278.15	-	3369.0	[250]
Isopropanol	283.15	-	3404.0	[250]
Isopropanol	288.15	-	3440.0	[250]
Isopropanol	293.15	-	3476.0	[250]
Isopropanol	298.15	-	3512.0	[250]
Isopropanol	303.15	-	3550.0	[250]
Isopropanol	308.15	-	3602.0	[250]
Isopropanol	313.15	-	3638.0	[250]
Isopropanol	318.15	-	3676.0	[250]
Methanol	273.15	-	2840.0	[250]
Methanol	278.15	-	2864.0	[250]
Methanol	283.15	-	2888.0	[250]
Methanol	288.15	-	2913.0	[250]
Methanol	293.15	-	2951.0	[250]
Methanol	298.15	-	2975.0	[250]
Methanol	303.15	-	3013.0	[250]
Methanol	308.15	-	3037.0	[250]
Methanol	313.15	-	3061.0	[250]
Methanol	318.15	-	3084.0	[250]
Tetrahydrofuran	273.15	-	3720.0	[250]
Tetrahydrofuran	278.15	-	3806.1	[250]
Tetrahydrofuran	283.15	-	3875.0	[250]
Tetrahydrofuran	288.15	-	3960.0	[250]
Tetrahydrofuran	293.15	-	4048.3	[250]
Tetrahydrofuran	298.15	-	4155.6	[250]
Tetrahydrofuran	303.15	-	4249.0	[250]
Tetrahydrofuran	308.15	-	4343.9	[250]
Tetrahydrofuran	313.15	-	4423.0	[250]
Tetrahydrofuran	318.15	-	4522.5	[250]
Water	273.15	-	3.883	[250]
Water	278.15	-	4.674	[250]
Water	283.15	-	5.565	[250]
Water	288.15	-	6.514	[250]
Water	293.15	-	7.505	[250]
Water	298.15	-	8.538	[250]
Water	303.15	-	9.43	[250]
Water	308.15	-	11.0	[250]
Water	313.15	-	11.49	[250]
Water	318.15	-	12.38	[250]
tert-Butyl methyl ether	273.15	-	2343.0	[250]
tert-Butyl methyl ether	278.15	-	2355.0	[250]
tert-Butyl methyl ether	283.15	-	2377.0	[250]
tert-Butyl methyl ether	288.15	-	2411.0	[250]
tert-Butyl methyl ether	293.15	-	2463.0	[250]
tert-Butyl methyl ether	298.15	-	2525.0	[250]
tert-Butyl methyl ether	303.15	-	2617.0	[250]
tert-Butyl methyl ether	308.15	-	2704.6	[250]
tert-Butyl methyl ether	313.15	-	2829.5	[250]
tert-Butyl methyl ether	318.15	-	3062.0	[250]

Molecule 3D descriptors

Descriptor	Value
PMI1	538.8633
PMI2	2899.7344
PMI3	3260.1498
NPR1	0.1653
NPR2	0.8894
RadiusOfGyration	3.5066
InertialShapeFactor	0.0017
Eccentricity	0.9862
Asphericity	0.5843
SpherocityIndex	0.1960
PBF	0.6897