Adamantane | SBID = 1078 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 102.2 | ||
| Sum Formula: | C10H16 | ||
| M / g/mol: | 136.23 | ||
| Complexity: | 75.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Adamantane
- Preferred Abbreviation: Adamantane
- IUPAC Name: adamantane
- CAS: 281-23-2
- CID: 9238
- InChiKey: ORILYTVJVMAKLC-UHFFFAOYSA-N
- InChi: InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
- CanoSmiles: C1C2CC3CC1CC(C2)C3
- IsoSmiles: C1C2CC3CC1CC(C2)C3
