Summary

IMPPAT Phytochemical identifier: IMPHY015628

Phytochemical name: Dodecyl octanoate

Synonymous chemical names:
dodecyl octanoate

External chemical identifiers:
CID:88472, FDASRS:2U627TBL66, SureChEMBL:SCHEMBL1173086, MolPort-006-123-196

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Chemical structure information

SMILES:
CCCCCCCCCCCCOC(=O)CCCCCCC

InChI:
InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-19H2,1-2H3

InChIKey:
OYQTUTLMOLEYNR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOC=O)CCCCCCC

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: 0.177

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Chemical structure download