Summary

IMPPAT Phytochemical identifier: IMPHY016549

Phytochemical name: Butyl laurate

Synonymous chemical names:
butyl dodecanoate

External chemical identifiers:
CID:61015, ChEBI:174365, ZINC:ZINC000085659450, FDASRS:23985OCM4H, SureChEMBL:SCHEMBL81478

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)OCCCC

InChI:
InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3

InChIKey:
NDKYEUQMPZIGFN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)OCCCC

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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.184

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Chemical structure download