Methyl Octanoate
Representations & DB's id
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| ChEBI: | CHEBI:87432 | |
|---|---|---|
| ChEMBL: | CHEMBL3183908 | |
| PubChem: | 8091 | |
| IUPAC: | methyl octanoate | |
| Standard InChI: | InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 | |
| Standard InChI Key: | JGHZJRVDZXSNKQ-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCC(=O)OC | |
Molecular propeties
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| AlogP: | 2.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 0 | |
| Molecular Weight: | 158.13 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.889 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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