Octanoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:28837 | |
|---|---|---|
| ChEMBL: | CHEMBL324846 | |
| PubChem: | 379 | |
| IUPAC: | octanoic acid | |
| Standard InChI: | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | |
| Standard InChI Key: | WWZKQHOCKIZLMA-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCC(=O)O | |
Molecular propeties
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| AlogP: | 2.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 0 | |
| Molecular Weight: | 144.12 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.875 | |
| Number of carbons: | 8 | |