6,10-Dimethylundeca-5,9-Dien-2-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3184326 | |
| PubChem: | 19633 | |
| IUPAC: | 6,10-dimethylundeca-5,9-dien-2-one | |
| Standard InChI: | InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3 | |
| Standard InChI Key: | HNZUNIKWNYHEJJ-UHFFFAOYSA-N | |
| SMILES: | CC(=CCCC(=O)C)CCC=C(C)C | |
Molecular propeties
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| AlogP: | 4.05 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 0 | |
| Molecular Weight: | 194.17 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.615 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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