Summary

IMPPAT Phytochemical identifier: IMPHY012153

Phytochemical name: Undecyl acetate

Synonymous chemical names:
undecyl acetate

External chemical identifiers:
CID:15605, ChEMBL:CHEMBL2228459, ZINC:ZINC000001848558, FDASRS:70Z4PZ8M0S, SureChEMBL:SCHEMBL1300652

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Chemical structure information

SMILES:
CCCCCCCCCCCOC(=O)C

InChI:
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3

InChIKey:
CKQGCFFDQIFZFA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCOC=O)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: 0.497

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Chemical structure download