Tert-Amyl methyl ether
CAS Number: 994-05-8
Molecular Mass: 102.17 g/mol
Formula: C6H14O
Smiles: CCC(C)(C)OC
Melting point: -80.0 °C
Boiling point: 86.3 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 13.1931
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 155.2347 |
| PMI2 | 253.6626 |
| PMI3 | 289.8389 |
| NPR1 | 0.5356 |
| NPR2 | 0.8752 |
| RadiusOfGyration | 1.8491 |
| InertialShapeFactor | 0.0056 |
| Eccentricity | 0.8445 |
| Asphericity | 0.1193 |
| SpherocityIndex | 0.5975 |
| PBF | 0.8234 |