1-Heptanol | SBID = 874 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C7H16O | ||
| M / g/mol: | 116.20134 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: alcohol
- Name: 1-Heptanol
- Preferred Abbreviation: 1-Heptanol
- IUPAC Name:
- CAS:
- CID: -267
- InChiKey: BBMCTIGTTCKYKF-UHFFFAOYSA-N
- InChi: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
- CanoSmiles: CCCCCCCO
- IsoSmiles: CCCCCCCO
