6-Methylhept-5-En-2-One
Representations & DB's id
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| ChEBI: | CHEBI:16310 | |
|---|---|---|
| ChEMBL: | CHEMBL46340 | |
| PubChem: | 9862 | |
| IUPAC: | 6-methylhept-5-en-2-one | |
| Standard InChI: | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 | |
| Standard InChI Key: | UHEPJGULSIKKTP-UHFFFAOYSA-N | |
| SMILES: | CC(=O)CCC=C(C)C | |
Molecular propeties
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| AlogP: | 2.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 126.1 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.625 | |
| Number of carbons: | 8 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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