Summary

IMPPAT Phytochemical identifier: IMPHY016658

Phytochemical name: Ethyl undecanoate

Synonymous chemical names:
ethyl undecanoate

External chemical identifiers:
CID:12327, ZINC:ZINC000001627276, FDASRS:Q5223I1993, SureChEMBL:SCHEMBL309440, MolPort-003-926-586

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Chemical structure information

SMILES:
CCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3

InChIKey:
IAFQYUQIAOWKSB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=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: 0.162

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Chemical structure download