Summary

IMPPAT Phytochemical identifier: IMPHY016290

Phytochemical name: 2,2-Diethoxyethanol

Synonymous chemical names:
2,2-diethoxyethanol

External chemical identifiers:
CID:12129, ZINC:ZINC000001699883, FDASRS:6T6P26VUF6, SureChEMBL:SCHEMBL605278, MolPort-005-938-656

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Chemical structure information

SMILES:
OCC(OCC)OCC

InChI:
InChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3

InChIKey:
IKKUKDZKIIIKJK-UHFFFAOYSA-N

DeepSMILES:
OCCOCC)))OCC

Functional groups:
CO, COC(C)OC

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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: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.425

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Chemical structure download