Summary

IMPPAT Phytochemical identifier: IMPHY008065

Phytochemical name: Ethyl dodecanoate

Synonymous chemical names:
ethyl dodecanoate, ethyl dodecanote, ethyl laulate, ethyl laurate

External chemical identifiers:
CID:7800, ChEMBL:CHEMBL3187842, ChEBI:87427, ZINC:ZINC000001648325, FDASRS:F389D4MD5K, SureChEMBL:SCHEMBL8538, MolPort-003-919-868

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3

InChIKey:
MMXKVMNBHPAILY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=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: 0.152

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Chemical structure download