[(Z)-Hex-3-Enyl] Hexanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3187552 | |
| PubChem: | 5352543 | |
| IUPAC: | [(Z)-hex-3-enyl] hexanoate | |
| Standard InChI: | InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5- | |
| Standard InChI Key: | RGACQXBDYBCJCY-ALCCZGGFSA-N | |
| SMILES: | CCCCCC(=O)OCC/C=CCC | |
Molecular propeties
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| AlogP: | 3.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 198.16 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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