Summary

IMPPAT Phytochemical identifier: IMPHY017017

Phytochemical name: Dimethyl adipate

Synonymous chemical names:
dimethyl adipate

External chemical identifiers:
CID:12329, ChEMBL:CHEMBL1566491, ChEBI:34715, ZINC:ZINC000001712794, FDASRS:BY71RX0R62, SureChEMBL:SCHEMBL14975, MolPort-000-872-154

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Chemical structure information

SMILES:
COC(=O)CCCCC(=O)OC

InChI:
InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

InChIKey:
UDSFAEKRVUSQDD-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCCCC=O)OC

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: 0.208

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Chemical structure download