3-Methylpentan-2-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3182903 | |
| PubChem: | 11262 | |
| IUPAC: | 3-methylpentan-2-one | |
| Standard InChI: | InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3 | |
| Standard InChI Key: | UIHCLUNTQKBZGK-UHFFFAOYSA-N | |
| SMILES: | CCC(C(=O)C)C | |
Molecular propeties
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| AlogP: | 1.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 100.09 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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