2-Methylbutyl 3-Methylbutanoate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3182254 | |
| PubChem: | 62445 | |
| IUPAC: | 2-methylbutyl 3-methylbutanoate | |
| Standard InChI: | InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3 | |
| Standard InChI Key: | CYGPPWVXOWCHJB-UHFFFAOYSA-N | |
| SMILES: | CCC(COC(=O)CC(C)C)C | |
Molecular propeties
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| AlogP: | 2.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 172.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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