Summary

IMPPAT Phytochemical identifier: IMPHY016676

Phytochemical name: Heptaethylene glycol monododecyl ether

Synonymous chemical names:
heptaethylene glycol monododecyl ether

External chemical identifiers:
CID:76459, ZINC:ZINC000100014200, SureChEMBL:SCHEMBL60375, MolPort-003-935-589

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Chemical structure information

SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO

InChI:
InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3

InChIKey:
DWHIUNMOTRUVPG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO

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: 0.062

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Chemical structure download