Summary

IMPPAT Phytochemical identifier: IMPHY015264

Phytochemical name: Ethylene glycol monohexadecyl ether

Synonymous chemical names:
2-hexadecoxyethanol

External chemical identifiers:
CID:16492, ZINC:ZINC000085428491, FDASRS:UO15AM5953, SureChEMBL:SCHEMBL185805

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCOCCO

InChI:
InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3

InChIKey:
FSAMVJAGJWGWTQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCOCCO

Functional groups:
CO, COC

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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

NP Classifier Class: Monoacylglycerols

NP-Likeness score: 0.169

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Chemical structure download