Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000447

Phytochemical name: Ethyl decanoate

Synonymous chemical names:
ethyl decanoate, ethylcaprate, ethyl decanoate b, ethyl caprate

External chemical identifiers:
CID:CID_8048, ChEMBL:CHEMBL3184829, ChEBI:CHEBI:87430, ZINC:ZINC000001648324, FDASRS:GY39FB86UO, SureChEMBL:SCHEMBL116995, MolPort-003-926-589

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3

InChIKey:
RGXWDWUGBIJHDO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)OCC

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.174

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Chemical structure download