1,5-pentanediol | SBID = 1430 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.1 | ||
| 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: | 88.5 | ||
| Sum Formula: | C5H12O2 | ||
| M / g/mol: | 104.15 | ||
| Complexity: | 25.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: alcohol
- Name: 1,5-pentanediol
- Preferred Abbreviation: 1,5-PENTANEDIOL
- IUPAC Name: pentane-1,5-diol
- CAS: 111-29-5
- CID: 8105
- InChiKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N
- InChi: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
- CanoSmiles: C(CCO)CCO
- IsoSmiles: C(CCO)CCO
