Ethanol | SBID = 10 | Compound |
Structure
Molecular Properties
| Interactions: | 10 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.1 | ||
| 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: | 41.5 | ||
| Sum Formula: | C2H6O | ||
| M / g/mol: | 46.069 | ||
| Complexity: | 2.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: alcohol, aliphatic, typical guest
- Name: Ethanol
- Preferred Abbreviation: Ethanol
- IUPAC Name: ethanol
- CAS: 64-17-5
- CID: 702
- InChiKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
- InChi: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- CanoSmiles: CCO
- IsoSmiles: CCO
