1-adamantylmethanol | SBID = 1198 | 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: | C11H18O | ||
| M / g/mol: | 166.26002 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: 1-adamantylmethanol
- Preferred Abbreviation: 1-adamantylmethanol
- IUPAC Name: Tricyclo[3.3.1.1 3,7]decane-1-methanol
- CAS: 770-71-8
- CID: -391
- InChiKey: MDVGOOIANLZFCP-UHFFFAOYSA-N
- InChi: InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2
- CanoSmiles: OCC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
- IsoSmiles: OCC12C[C@@H]3C[C@H](C1)C[C@H](C2)C3
