Summary

IMPPAT Phytochemical identifier: IMPHY016649

Phytochemical name: Ethyl 4-octenoate

Synonymous chemical names:
ethyl 4-octenoate

External chemical identifiers:
CID:61934, ChEBI:87575

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Chemical structure information

SMILES:
CCCC=CCCC(=O)OCC

InChI:
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3

InChIKey:
WRUZCQAJIHSQPL-UHFFFAOYSA-N

DeepSMILES:
CCCC=CCCC=O)OCC

Functional groups:
CC=CC, 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: 0.916

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Chemical structure download