1-adamantylethanol | SBID = 1199 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C12H20O | ||
| M / g/mol: | 180.2866 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 1-adamantylethanol
- Preferred Abbreviation: 1-adamantylethanol
- IUPAC Name: Tricyclo[3.3.1.1 3,7]decane-1-ethanol
- CAS: 6240-11-5
- CID: -392
- InChiKey: ZBIDZPHRNBZTLT-UHFFFAOYSA-N
- InChi: InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2
- CanoSmiles: OCCC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
- IsoSmiles: OCCC12C[C@@H]3C[C@H](C1)C[C@H](C2)C3
