Hexyl 2-Methylbutanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3561573 | |
| PubChem: | 24838 | |
| IUPAC: | hexyl 2-methylbutanoate | |
| Standard InChI: | InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3 | |
| Standard InChI Key: | YUECNVSODFDKOQ-UHFFFAOYSA-N | |
| SMILES: | CCCCCCOC(=O)C(CC)C | |
Molecular propeties
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| AlogP: | 3.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 0 | |
| Molecular Weight: | 186.16 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.909 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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