Summary

IMPPAT Phytochemical identifier: IMPHY016736

Phytochemical name: Methyl 2-ethylhexadecanoate

Synonymous chemical names:
methyl 2-ethylhexadecanoate

External chemical identifiers:
CID:568306, SureChEMBL:SCHEMBL2530669

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(C(=O)OC)CC

InChI:
InChI=1S/C19H38O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(5-2)19(20)21-3/h18H,4-17H2,1-3H3

InChIKey:
BESGMZFZENNPGE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OC)))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: 0.264

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Chemical structure download