Summary

IMPPAT Phytochemical identifier: IMPHY017893

Phytochemical name: Methyl 2-methylhexadecanoate

Synonymous chemical names:
methyl 2-methylhexadecanoate

External chemical identifiers:
CID:94236, SureChEMBL:SCHEMBL5483760

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Chemical structure information

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

InChI:
InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20-3/h17H,4-16H2,1-3H3

InChIKey:
OAMQXAKDCJRWHE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OC)))C

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 Acids and Conjugates, Fatty esters

NP Classifier Class: Branched fatty acids, Wax monoesters

NP-Likeness score: 0.471

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Chemical structure download