Compound Structure

Isopropylethanediol

CAS Number: 109-59-1

Molecular Mass: 104.15 g/mol

Formula: C5H12O2

Smiles: CC(C)OCCO

Melting point: -60.0 °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.70475

Molecule 3D descriptors

Descriptor Value
PMI1 97.0755
PMI2 409.3859
PMI3 440.0278
NPR1 0.2206
NPR2 0.9304
RadiusOfGyration 2.1316
InertialShapeFactor 0.0096
Eccentricity 0.9754
Asphericity 0.4824
SpherocityIndex 0.3407
PBF 0.6470