1-Chloroadamantane | SBID = 1081 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.4 | ||
| 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: | 116.2 | ||
| Sum Formula: | C10H15Cl | ||
| M / g/mol: | 170.68 | ||
| Complexity: | 144.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 1-Chloroadamantane
- Preferred Abbreviation: 1-Chloroadamantane
- IUPAC Name: 1-chloroadamantane
- CAS: 935-56-8
- CID: 64154
- InChiKey: OZNXTQSXSHODFR-UHFFFAOYSA-N
- InChi: InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
- CanoSmiles: C1C2CC3CC1CC(C2)(C3)Cl
- IsoSmiles: C1C2CC3CC1CC(C2)(C3)Cl
