(S)-2-Isopropylidene-5-Methyl-Cyclohexanone
Representations & DB's id
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| ChEBI: | CHEBI:81226 | |
|---|---|---|
| ChEMBL: | CHEMBL366136 | |
| PubChem: | 638012 | |
| IUPAC: | (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one | |
| Standard InChI: | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m0/s1 | |
| Standard InChI Key: | NZGWDASTMWDZIW-QMMMGPOBSA-N | |
| SMILES: | C[C@H]1CCC(=C(C)C)C(=O)C1 | |
Molecular propeties
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| AlogP: | 2.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 152.12 | |
| Topological polar surface area: | 17.1 | |
| 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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