Ethyl 3-Methylbutanoate
Representations & DB's id
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| ChEBI: | CHEBI:31571 | |
|---|---|---|
| ChEMBL: | CHEMBL3183097 | |
| PubChem: | 7945 | |
| IUPAC: | ethyl 3-methylbutanoate | |
| Standard InChI: | InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 | |
| Standard InChI Key: | PPXUHEORWJQRHJ-UHFFFAOYSA-N | |
| SMILES: | CCOC(=O)CC(C)C | |
Molecular propeties
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| AlogP: | 1.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 130.1 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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