2-Ethylhexyl Acetate
Representations & DB's id
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| ChEBI: | CHEBI:87392 | |
|---|---|---|
| ChEMBL: | CHEMBL1879713 | |
| PubChem: | 7635 | |
| IUPAC: | 2-ethylhexyl acetate | |
| Standard InChI: | InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3 | |
| Standard InChI Key: | WOYWLLHHWAMFCB-UHFFFAOYSA-N | |
| SMILES: | CCCCC(COC(=O)C)CC | |
Molecular propeties
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| AlogP: | 2.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 0 | |
| Molecular Weight: | 172.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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