3-Methylbutanal
Representations & DB's id
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| ChEBI: | CHEBI:16638 | |
|---|---|---|
| ChEMBL: | CHEMBL18360 | |
| PubChem: | 11552 | |
| IUPAC: | 3-methylbutanal | |
| Standard InChI: | InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 | |
| Standard InChI Key: | YGHRJJRRZDOVPD-UHFFFAOYSA-N | |
| SMILES: | O=CCC(C)C | |
Molecular propeties
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| AlogP: | 1.23 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| 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 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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