butan-2-ol | SBID = 2665 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | 20.23 | ||
| Hydrophilicity (PubChem XLogP): | 0.6 | ||
| Hydrophilicity (Cheng XLogP3): | 0.61 | ||
| 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: | 67.0 | ||
| Sum Formula: | C4H10O | ||
| M / g/mol: | 74.12 | ||
| Complexity: | 19.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: butan-2-ol
- Preferred Abbreviation: 2-Butanol
- IUPAC Name: butan-2-ol
- CAS:
- CID: 6568
- InChiKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
- InChi: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
- CanoSmiles: CCC(C)O
- IsoSmiles: CCC(C)O
