Compound Structure

4-Methyl-2-Pentanol

CAS Number: 108-11-2

Molecular Mass: 102.17 g/mol

Formula: C6H14O

Smiles: CC(C)CC(C)O

Melting point: 501.4 °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.705

Molecule 3D descriptors

Descriptor Value
PMI1 115.6383
PMI2 363.9857
PMI3 388.9078
NPR1 0.2973
NPR2 0.9359
RadiusOfGyration 2.0616
InertialShapeFactor 0.0081
Eccentricity 0.9548
Asphericity 0.3632
SpherocityIndex 0.3522
PBF 0.6668