Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006667

Phytochemical name: Ethylidene diacetate

Synonymous chemical names:
ethylidene diacetate, 1,1-ethandiol,diacetate

External chemical identifiers:
CID:CID_222536, ChEMBL:CHEMBL3187663, ZINC:ZINC000001648271, FDASRS:KL1S8V6W25, SureChEMBL:SCHEMBL987906, MolPort-001-783-239

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Chemical structure information

SMILES:
CC(OC(=O)C)OC(=O)C

InChI:
InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3

InChIKey:
ACKALUBLCWJVNB-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)C)))OC=O)C

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

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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-Likeness score: 0.698

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Chemical structure download