1-Adamantanol | SBID = 936 | Compound |
Structure
Molecular Properties
| Interactions: | 35 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| 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: | 115.1 | ||
| Sum Formula: | C10H16O | ||
| M / g/mol: | 152.23 | ||
| Complexity: | 144.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 1-Adamantanol
- Preferred Abbreviation: 1-Adamantanol
- IUPAC Name: adamantan-1-ol
- CAS: 768-95-6
- CID: 64152
- InChiKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N
- InChi: InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2
- CanoSmiles: C1C2CC3CC1CC(C2)(C3)O
- IsoSmiles: C1C2CC3CC1CC(C2)(C3)O
