Summary

IMPPAT Phytochemical identifier: IMPHY016233

Phytochemical name: 2-Ethylhexyl laurate

Synonymous chemical names:
2-ethylhexyl laurate

External chemical identifiers:
CID:89309, FDASRS:8J6M396U72, SureChEMBL:SCHEMBL55305

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)OCC(CCCC)CC

InChI:
InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-20(21)22-18-19(6-3)16-8-5-2/h19H,4-18H2,1-3H3

InChIKey:
LWLRMRFJCCMNML-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)OCCCCCC))))CC

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: 0.503

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Chemical structure download