4-Hydroxy-4-Methylpentan-2-One
Representations & DB's id
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| ChEBI: | CHEBI:55381 | |
|---|---|---|
| ChEMBL: | CHEMBL3182048 | |
| PubChem: | 31256 | |
| IUPAC: | 4-hydroxy-4-methylpentan-2-one | |
| Standard InChI: | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 | |
| Standard InChI Key: | SWXVUIWOUIDPGS-UHFFFAOYSA-N | |
| SMILES: | CC(=O)CC(O)(C)C | |
Molecular propeties
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| AlogP: | 0.74 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 116.08 | |
| Topological polar surface area: | 37.3 | |
| 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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