1-Pentanol | SBID = 997 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.6 | ||
| 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: | 80.4 | ||
| Sum Formula: | C5H12O | ||
| M / g/mol: | 88.15 | ||
| Complexity: | 19.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: 1-Pentanol
- Preferred Abbreviation: 1-Pentanol
- IUPAC Name: pentan-1-ol
- CAS: 71-41-0
- CID: 6276
- InChiKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
- InChi: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
- CanoSmiles: CCCCCO
- IsoSmiles: CCCCCO
