[(Z)-Hex-3-Enyl] 2-Methylpropanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3183445 | |
| PubChem: | 5352539 | |
| IUPAC: | [(Z)-hex-3-enyl] 2-methylpropanoate | |
| Standard InChI: | InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5- | |
| Standard InChI Key: | OSMAJVWUIUORGC-WAYWQWQTSA-N | |
| SMILES: | CC/C=CCCOC(=O)C(C)C | |
Molecular propeties
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| AlogP: | 2.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 170.13 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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