2-Adamantanone | SBID = 2386 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | 17.07 | ||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | 1.78 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | 113.9 | ||
| Sum Formula: | C10H14O | ||
| M / g/mol: | 150.22 | ||
| Complexity: | 177.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 2-Adamantanone
- Preferred Abbreviation: 2-Adamantanone
- IUPAC Name: adamantan-2-one
- CAS:
- CID: 64151
- InChiKey: IYKFYARMMIESOX-UHFFFAOYSA-N
- InChi: InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
- CanoSmiles: C1C2CC3CC1CC(C2)C3=O
- IsoSmiles: C1C2CC3CC1CC(C2)C3=O
