Ethyl decanoate

2D Structure
CID 8048
Target CYP2C19
IUPAC Name ethyl decanoate
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChI Key RGXWDWUGBIJHDO-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCC(=O)OCC
Isomeric SMILES CCCCCCCCCC(=O)OCC
Molecular Formula C12H24O2
Molecular Weight 200.32
synonyms ['ETHYL DECANOATE', 'Ethyl caprate', 'Decanoic acid, ethyl ester', 'Decanoic Acid Ethyl Ester', 'Ethyl n-decanoate', 'Capric acid, ethyl ester', 'Ethyl decanoate (natural)', 'n-Capric acid ethyl ester', 'UNII-GY39FB86UO', 'EINECS 203-761-9', 'GY39FB86UO', 'Ethyl ester of Decanoic acid', 'BRN 1762128', 'DTXSID0044363', 'CHEBI:87430', 'AI3-01976', 'NSC-8909', 'ETHYL CAPRATE [MI]', 'ETHYL DECANOATE [FCC]', 'ETHYL DECANOATE [FHFI]', 'DTXCID8024363', 'WE(2:0/10:0)', 'ETHYL CAPRATE [INCI]', '203-761-9', '4-02-00-01044 (beilstein handbook reference)', 'rgxwdwugbijhdo-uhfffaoysa-n', '110-38-3', 'Ethyl decylate', 'Capric acid ethyl ester', 'Ethyl caprinate', 'FEMA No. 2432', 'NSC 8909', 'Decanoic acid-ethyl ester', 'MFCD00009581', 'WLN: 9VO2', 'SCHEMBL116995', 'CHEMBL3184829', 'FEMA 2432', 'NSC8909', 'Ethyl decanoate, analytical standard', 'Tox21_301180', 'LMFA07010455', 'AKOS009158697', 'Ethyl decanoate, >=98%, FCC, FG', 'CS-W015600', 'HY-W014884', 'NCGC00248319-01', 'NCGC00255078-01', 'BS-14328', 'CAS-110-38-3', 'Ethyl decanoate, ReagentPlus(R), >=99%', 'D0022', 'NS00012390', 'Ethyl decanoate, natural, >=98%, FCC, FG', 'E83014', 'Ethyl decanoate, Vetec(TM) reagent grade, 98%', 'Q5404454']

From Pubchem