Summary

IMPPAT Phytochemical identifier: IMPHY016651

Phytochemical name: Ethyl diethoxyacetate

Synonymous chemical names:
ethyl diethoxyacetate

External chemical identifiers:
CID:80169, ZINC:ZINC000002166890, SureChEMBL:SCHEMBL143815, MolPort-000-146-217

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Chemical structure information

SMILES:
CCOC(=O)C(OCC)OCC

InChI:
InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3

InChIKey:
XCLBIKIQSCTANZ-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)COCC)))OCC

Functional groups:
COC(=O)C(OC)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.022

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Chemical structure download