Isobutyraldehyde
Representations & DB's id
| ||
| ChEBI: | CHEBI:48943 | |
|---|---|---|
| ChEMBL: | CHEMBL1404017 | |
| PubChem: | 6561 | |
| IUPAC: | 2-methylpropanal | |
| Standard InChI: | InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 | |
| Standard InChI Key: | AMIMRNSIRUDHCM-UHFFFAOYSA-N | |
| SMILES: | O=CC(C)C | |
Molecular propeties
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| AlogP: | 0.84 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 72.06 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 4 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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