Octan-2-One
Representations & DB's id
| ||
| ChEBI: | CHEBI:87434 | |
|---|---|---|
| ChEMBL: | CHEMBL18549 | |
| PubChem: | 8093 | |
| IUPAC: | octan-2-one | |
| Standard InChI: | InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 | |
| Standard InChI Key: | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N | |
| SMILES: | CCCCCCC(=O)C | |
Molecular propeties
| ||
| AlogP: | 2.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 128.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.875 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|