2-Dodecanone
Representations & DB's id
| ||
| ChEBI: | CHEBI:89284 | |
|---|---|---|
| ChEMBL: | CHEMBL2228472 | |
| PubChem: | 22556 | |
| IUPAC: | dodecan-2-one | |
| Standard InChI: | InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3 | |
| Standard InChI Key: | LSKONYYRONEBKA-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCC(=O)C | |
Molecular propeties
| ||
| AlogP: | 4.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 0 | |
| Molecular Weight: | 184.18 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.917 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|