pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol | SBID = 2206 | Compound |
Structure
Molecular Properties
| Interactions: | 14 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | 20.23 | ||
| Hydrophilicity (PubChem XLogP): | 2.8 | ||
| Hydrophilicity (Cheng XLogP3): | 2.79 | ||
| 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: | 149.7 | ||
| Sum Formula: | C14H20O | ||
| M / g/mol: | 204.31 | ||
| Complexity: | 268.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol
- Preferred Abbreviation: Diamantan-4-ol
- IUPAC Name: pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol
- CAS:
- CID: 141578
- InChiKey: HLMNGNITCLNFFJ-UHFFFAOYSA-N
- InChi: InChI=1S/C14H20O/c15-14-4-11-8-1-7-2-9(11)13(6-14)10(3-7)12(8)5-14/h7-13,15H,1-6H2
- CanoSmiles: C1C2CC3C4C1C5CC(C4)(CC3C5C2)O
- IsoSmiles: C1C2CC3C4C1C5CC(C4)(CC3C5C2)O
