Cycloheptanol | SBID = 1681 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.0 | ||
| 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: | 97.1 | ||
| Sum Formula: | C7H14O | ||
| M / g/mol: | 114.19 | ||
| Complexity: | 53.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: typical guest
- Name: Cycloheptanol
- Preferred Abbreviation: Cycloheptanol
- IUPAC Name: cycloheptanol
- CAS: 502-41-0
- CID: 10399
- InChiKey: QCRFMSUKWRQZEM-UHFFFAOYSA-N
- InChi: InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
- CanoSmiles: C1CCCC(CC1)O
- IsoSmiles: C1CCCC(CC1)O
