Bicyclo[2.2.2]octane-1,4-diyldimethanol | SBID = 419 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| 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: | 132.6 | ||
| Sum Formula: | C10H18O2 | ||
| M / g/mol: | 170.252 | ||
| Complexity: | 132.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: alcohol
- Name: Bicyclo[2.2.2]octane-1,4-diyldimethanol
- Preferred Abbreviation: Bicyclo[2.2.2]octane-1,4-diyldimethanol
- IUPAC Name: [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
- CAS: 826-45-9
- CID: 13227630
- InChiKey: DLBHMXBDKPROEG-UHFFFAOYSA-N
- InChi: InChI=1S/C10H18O2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h11-12H,1-8H2
- CanoSmiles: C1CC2(CCC1(CC2)CO)CO
- IsoSmiles: C1CC2(CCC1(CC2)CO)CO
