Methyl Nonyl Ketone
Representations & DB's id
| ||
| ChEBI: | CHEBI:17700 | |
|---|---|---|
| ChEMBL: | CHEMBL1236582 | |
| PubChem: | 8163 | |
| IUPAC: | undecan-2-one | |
| Standard InChI: | InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 | |
| Standard InChI Key: | KYWIYKKSMDLRDC-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCC(=O)C | |
Molecular propeties
| ||
| AlogP: | 3.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 170.17 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.909 | |
| Number of carbons: | 11 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|