Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002436

Phytochemical name: Decyl butyrate

Synonymous chemical names:
decyl butyrate, butanoic acid decyl ester(syn:decyl butanouate)

External chemical identifiers:
CID:CID_229387

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Chemical structure information

SMILES:
CCCCCCCCCCOC(=O)CCC

InChI:
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3

InChIKey:
PUCQHFICPFUPKW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCOC=O)CCC

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: 0.269

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Chemical structure download