Acetic Acid Butyl Ester
Representations & DB's id
| ||
| ChEBI: | CHEBI:31328 | |
|---|---|---|
| ChEMBL: | CHEMBL284391 | |
| PubChem: | 31272 | |
| IUPAC: | butyl acetate | |
| Standard InChI: | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | |
| Standard InChI Key: | DKPFZGUDAPQIHT-UHFFFAOYSA-N | |
| SMILES: | CCCCOC(=O)C | |
Molecular propeties
| ||
| AlogP: | 1.35 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 116.08 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |