5-Bromo-2-adamantanone | SBID = 2388 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | 17.07 | ||
| Hydrophilicity (PubChem XLogP): | 2.0 | ||
| Hydrophilicity (Cheng XLogP3): | 1.98 | ||
| 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): | 2.0 | ||
| 3D Volume/Å3: | 142.2 | ||
| Sum Formula: | C10H13BrO | ||
| M / g/mol: | 229.11 | ||
| Complexity: | 230.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 5-Bromo-2-adamantanone
- Preferred Abbreviation: 5-Bromo-2-adamantanone
- IUPAC Name: 5-bromoadamantan-2-one
- CAS:
- CID: 590905
- InChiKey: TXEWIOREYPSNRR-UHFFFAOYSA-N
- InChi: InChI=1S/C10H13BrO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
- CanoSmiles: C1C2CC3CC(C2)(CC1C3=O)Br
- IsoSmiles: C1C2CC3CC(C2)(CC1C3=O)Br
