chempirical

Ethyl 2,2-diethoxyethylcyanoacetate

C11H19NO4CAS 52133-67-2229.28 g/mol

Open in Covalent MOL file
ONOOO
AcetalEsterEtherNitrile

Properties

Molecular formula
C11H19NO4
Molar mass
229.28 g/mol
Exact mass
229.1314 Da
logP
1.48Crippen estimate
Polar surface area
68.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
52133-67-2
SMILES
CCOC(CC(C#N)C(=O)OCC)OCC
InChIKey
AHKACZDKUNMFBD-UHFFFAOYSA-N
InChI
InChI=1S/C11H19NO4/c1-4-14-10(15-5-2)7-9(8-12)11(13)16-6-3/h9-10H,4-7H2,1-3H3

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Names and synonyms

1 names
  • Ethyl 2-cyano-4,4-diethoxybutyrate

Work with Ethyl 2,2-diethoxyethylcyanoacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2,3-dicyanopropionate40497-11-864 % similar Ethyl 2-cyanopropanoate1572-99-254 % similar Ethyl diethoxyacetate6065-82-349 % similar Ethyl α-cyanophenylacetate4553-07-547 % similar 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-146 % similar Ethyl glycidate4660-80-444 % similar Ethyl 2-(acetylamino)-2-cyanoacetate4977-62-244 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 Methyl cis-3-(boc-amino)C...142733-63-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4

Elsewhere

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