4-diadamantylcarboxylic acid | SBID = 1063 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 4.0 | ||
| 3D Volume/Å3: | 166.7 | ||
| Sum Formula: | C15H20O2 | ||
| M / g/mol: | 232.32 | ||
| Complexity: | 391.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 4-diadamantylcarboxylic acid
- Preferred Abbreviation: 4-diadamantylcarboxylic acid
- IUPAC Name: pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylic acid
- CAS:
- CID: 12651137
- InChiKey: BUVACXIHXVLWSC-UHFFFAOYSA-N
- InChi: InChI=1S/C15H20O2/c16-14(17)15-6-8-2-10-9-1-7(4-12(10)15)5-13(15)11(9)3-8/h7-13H,1-6H2,(H,16,17)
- CanoSmiles: C1C2CC3C4C1C5CC(C4)CC3(C5C2)C(=O)O
- IsoSmiles: C1C2CC3C4C1C5CC(C4)CC3(C5C2)C(=O)O
