2,6-Dimethyl-4-heptanol
CAS Number: 108-82-7
Molecular Mass: 144.25 g/mol
Formula: C9H20O
Smiles: C(C(C)C)C(O)CC(C)C
Melting point: -65.0 °C
Boiling point: 178.0 °C
Density: 0.809 g/cm3
Dipole moment: - D
Refractive index: 1.423
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 209.4184 |
| PMI2 | 816.6803 |
| PMI3 | 873.4407 |
| NPR1 | 0.2398 |
| NPR2 | 0.9350 |
| RadiusOfGyration | 2.5659 |
| InertialShapeFactor | 0.0045 |
| Eccentricity | 0.9708 |
| Asphericity | 0.4506 |
| SpherocityIndex | 0.3571 |
| PBF | 0.8815 |