Summary

IMPPAT Phytochemical identifier: IMPHY017754

Phytochemical name: Decyl isobutyrate

Synonymous chemical names:
decyl 2-methylpropanoate, propanoic acid 2 methyl decyl ester

External chemical identifiers:
CID:79555, ZINC:ZINC000001848571, FDASRS:9R650V46IY, SureChEMBL:SCHEMBL2357674

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Chemical structure information

SMILES:
CCCCCCCCCCOC(=O)C(C)C

InChI:
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h13H,4-12H2,1-3H3

InChIKey:
HGOZECVJNYXKMC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCOC=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: 0.354

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Chemical structure download