pentan-2-ol | SBID = 2667 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | 20.23 | ||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| Hydrophilicity (Cheng XLogP3): | 1.19 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 80.1 | ||
| Sum Formula: | C5H12O | ||
| M / g/mol: | 88.15 | ||
| Complexity: | 27.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: pentan-2-ol
- Preferred Abbreviation: 2-PENTANOL
- IUPAC Name: pentan-2-ol
- CAS:
- CID: 22386
- InChiKey: JYVLIDXNZAXMDK-UHFFFAOYSA-N
- InChi: InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
- CanoSmiles: CCCC(C)O
- IsoSmiles: CCCC(C)O
