4-methylpentan-2-ol | SBID = 2666 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | 20.23 | ||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| Hydrophilicity (Cheng XLogP3): | 1.66 | ||
| 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: | 91.9 | ||
| Sum Formula: | C6H14O | ||
| M / g/mol: | 102.17 | ||
| Complexity: | 41.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 4-methylpentan-2-ol
- Preferred Abbreviation: 4-METHYL-2-PENTANOL
- IUPAC Name: 4-methylpentan-2-ol
- CAS:
- CID: 7910
- InChiKey: WVYWICLMDOOCFB-UHFFFAOYSA-N
- InChi: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
- CanoSmiles: CC(C)CC(C)O
- IsoSmiles: CC(C)CC(C)O
