Summary

IMPPAT Phytochemical identifier: IMPHY017488

Phytochemical name: Tetradecyl isobutyrate

Synonymous chemical names:
tetradecyl 2-methylpropanoate

External chemical identifiers:
CID:560579, SureChEMBL:SCHEMBL5355248, MolPort-044-723-459

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCOC(=O)C(C)C

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

InChIKey:
CFSDKUROIWNCSH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCOC=O)CC)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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.283

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Chemical structure download