pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol | SBID = 2205 | Compound |
Structure
Molecular Properties
| Interactions: | 20 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | 40.46 | ||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| Hydrophilicity (Cheng XLogP3): | 1.18 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 157.3 | ||
| Sum Formula: | C14H20O2 | ||
| M / g/mol: | 220.31 | ||
| Complexity: | 276.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol
- Preferred Abbreviation: 4,9-Dihydroxydiamantane
- IUPAC Name: pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol
- CAS:
- CID: 13022296
- InChiKey: GXAHVKOYBPXTKV-UHFFFAOYSA-N
- InChi: InChI=1S/C14H20O2/c15-13-1-7-8-4-14(16)5-9(7)11(3-13)12(6-14)10(8)2-13/h7-12,15-16H,1-6H2
- CanoSmiles: C1C2C3CC4(CC2C5CC1(CC3C5C4)O)O
- IsoSmiles: C1C2C3CC4(CC2C5CC1(CC3C5C4)O)O
