2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Yl Acetate
Representations & DB's id
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| ChEBI: | CHEBI:32320 | |
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| ChEMBL: | CHEMBL3183581 | |
| PubChem: | 111037 | |
| IUPAC: | 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate | |
| Standard InChI: | InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3 | |
| Standard InChI Key: | IGODOXYLBBXFDW-UHFFFAOYSA-N | |
| SMILES: | CC(=O)OC(C1CCC(=CC1)C)(C)C | |
Molecular propeties
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| AlogP: | 3.07 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 196.15 | |
| 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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