Summary

IMPPAT Phytochemical identifier: IMPHY016642

Phytochemical name: Ethyl trans-4-decenoate

Synonymous chemical names:
ethyl (e)-4-decenoate

External chemical identifiers:
CID:5362583, ChEBI:169182, ZINC:ZINC000002040376, FDASRS:3I89X5937N, SureChEMBL:SCHEMBL673411

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Chemical structure information

SMILES:
CCCCC/C=C/CCC(=O)OCC

InChI:
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+

InChIKey:
AWNIQMQADACLCJ-CMDGGOBGSA-N

DeepSMILES:
CCCCC/C=C/CCC=O)OCC

Functional groups:
C/C=C/C, 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: 1.068

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Chemical structure download