Compound Structure

2-Hexanone

CAS Number: 591-78-6

Molecular Mass: 100.16 g/mol

Formula: C6H12O

Smiles: CCCCC(C)=O

Melting point: 515.8 °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.7012

Molecule 3D descriptors

Descriptor Value
PMI1 67.7726
PMI2 480.2431
PMI3 532.1452
NPR1 0.1274
NPR2 0.9025
RadiusOfGyration 2.3221
InertialShapeFactor 0.0133
Eccentricity 0.9919
Asphericity 0.6659
SpherocityIndex 0.1717
PBF 0.4670