Cyclohexanol | SBID = 201 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 84.6 | ||
| Sum Formula: | C6H12O | ||
| M / g/mol: | 100.161 | ||
| Complexity: | 46.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags:
- Name: Cyclohexanol
- Preferred Abbreviation: Cyclohexanol
- IUPAC Name: cyclohexanol
- CAS: 108-93-0
- CID: 7966
- InChiKey: HPXRVTGHNJAIIH-UHFFFAOYSA-N
- InChi: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
- CanoSmiles: C1CCC(CC1)O
- IsoSmiles: C1CCC(CC1)O
