Tert-butanol | SBID = 935 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.5 | ||
| 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: | 66.7 | ||
| Sum Formula: | C4H10O | ||
| M / g/mol: | 74.12 | ||
| Complexity: | 25.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: alcohol
- Name: Tert-butanol
- Preferred Abbreviation: tert-Butanol
- IUPAC Name: 2-methylpropan-2-ol
- CAS: 75-65-0
- CID: 6386
- InChiKey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
- InChi: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
- CanoSmiles: CC(C)(C)O
- IsoSmiles: CC(C)(C)O
