Summary

IMPPAT Phytochemical identifier: IMPHY009855

Phytochemical name: Nonyl decanoate

Synonymous chemical names:
nonyl decanoate

External chemical identifiers:
CID:3016336, ZINC:ZINC000111874792, SureChEMBL:SCHEMBL333019, MolPort-006-128-681

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Chemical structure information

SMILES:
CCCCCCCCCOC(=O)CCCCCCCCC

InChI:
InChI=1S/C19H38O2/c1-3-5-7-9-11-13-15-17-19(20)21-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey:
JZHKSJXMXQZMCR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCOC=O)CCCCCCCCC

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: 0.186

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Chemical structure download