3-Methylbutan-2-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3183920 | |
| PubChem: | 11251 | |
| IUPAC: | 3-methylbutan-2-one | |
| Standard InChI: | InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 | |
| Standard InChI Key: | SYBYTAAJFKOIEJ-UHFFFAOYSA-N | |
| SMILES: | CC(=O)C(C)C | |
Molecular propeties
| ||
| AlogP: | 1.23 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 86.07 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|