1-Hexanol | SBID = 998 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.0 | ||
| 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: | 93.4 | ||
| Sum Formula: | C6H14O | ||
| M / g/mol: | 102.17 | ||
| Complexity: | 27.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 1-Hexanol
- Preferred Abbreviation: 1-Hexanol
- IUPAC Name: hexan-1-ol
- CAS: 111-27-3
- CID: 8103
- InChiKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
- CanoSmiles: CCCCCCO
- IsoSmiles: CCCCCCO
