Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017992

Phytochemical name: 2-(Octadecyloxy)ethanol

Synonymous chemical names:
Ethylene glycol monooctadecyl ether, 2-(Octadecyloxy)ethanol

External chemical identifiers:
CID:CID_75050, ChEMBL:CHEMBL3181944, ZINC:ZINC000056898840, SureChEMBL:SCHEMBL490673, Molport-003-925-352

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCOCCO

InChI:
InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3

InChIKey:
ICIDSZQHPUZUHC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCOCCO

Functional groups:
COC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids, Fatty acyls

NP Classifier Class: Fatty alcohols, Monoacylglycerols

NP-Likeness score: 0.154

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Chemical structure download