Summary

IMPPAT Phytochemical identifier: IMPHY015250

Phytochemical name: 2-(Dodecyloxy)ethanol

Synonymous chemical names:
2-(dodecyloxy)ethanol

External chemical identifiers:
CID:24750, ChEMBL:CHEMBL1201751, ChEBI:78770, ZINC:ZINC000008437287, FDASRS:J89TKQ5R54, SureChEMBL:SCHEMBL77030, MolPort-003-925-350

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Chemical structure information

SMILES:
CCCCCCCCCCCCOCCO

InChI:
InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3

InChIKey:
SFNALCNOMXIBKG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOCCO

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: 0.212

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Chemical structure download