Ethyl hexanoate
CAS: 123-66-0
| 1 | ETHYL HEXANOATE |
| 2 | Ethyl caproate |
| 3 | Hexanoic acid, ethyl ester |
| 4 | Hexanoic Acid Ethyl Ester |
| 5 | Ethyl hexoate |
Ethyl hexanoate is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and a hexanoate ester.
| Molecular Formula | C8H16O2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 144.2100 |
| InChIKey | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 |
| XLogP | 2.4000 |
| ExactMass | 144.1150 |
| MonoisotopicMass | 144.1150 |
| TPSA | 26.3000 |
| Complexity | 89.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 78953 |
| PatentFamilyCount | 37929 |
| LiteratureCount | 309 |