2-Methyl-(E)-2-Pentenal
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2270062 | |
| PubChem: | 5319754 | |
| IUPAC: | (E)-2-methylpent-2-enal | |
| Standard InChI: | InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+ | |
| Standard InChI Key: | IDEYZABHVQLHAF-GQCTYLIASA-N | |
| SMILES: | C/C(=CCC)/C=O | |
Molecular propeties
| ||
| AlogP: | 1.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 98.07 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|