5-Methyl-2-Propan-2-Ylidenecyclohexan-1-One
Representations & DB's id
| ||
| ChEBI: | CHEBI:26381 | |
|---|---|---|
| ChEMBL: | CHEMBL1898498 | |
| PubChem: | 6988 | |
| IUPAC: | 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 | |
| Standard InChI Key: | NZGWDASTMWDZIW-UHFFFAOYSA-N | |
| SMILES: | CC1CCC(=C(C)C)C(=O)C1 | |
Molecular propeties
| ||
| 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 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|