2-Propanol | SBID = 933 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.3 | ||
| 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: | 54.3 | ||
| Sum Formula: | C3H8O | ||
| M / g/mol: | 60.1 | ||
| Complexity: | 10.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 2-Propanol
- Preferred Abbreviation: Isopropanol
- IUPAC Name: propan-2-ol
- CAS: 67-63-0
- CID: 3776
- InChiKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
- InChi: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
- CanoSmiles: CC(C)O
- IsoSmiles: CC(C)O
