Hexyl Acetate
Representations & DB's id
| ||
| ChEBI: | CHEBI:87510 | |
|---|---|---|
| ChEMBL: | CHEMBL2228454 | |
| PubChem: | 8908 | |
| IUPAC: | hexyl acetate | |
| Standard InChI: | InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3 | |
| Standard InChI Key: | AOGQPLXWSUTHQB-UHFFFAOYSA-N | |
| SMILES: | CCCCCCOC(=O)C | |
Molecular propeties
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| AlogP: | 2.13 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 144.12 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.875 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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