chempirical

Copper bis(ethyl acetylacetate)

C12H18CuO6CAS 14284-06-1321.82 g/mol

Open in Covalent MOL file
OOCH−OOOCH−OCu2+
EsterKetone

Properties

Molecular formula
C12H18CuO6
Molar mass
321.82 g/mol
Exact mass
321.0399 Da
logP
0.68Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Identifiers

CAS number
14284-06-1
SMILES
CCOC(=O)[CH-]C(C)=O.CCOC(=O)[CH-]C(C)=O.[Cu+2]
InChIKey
OXFZSJOUPRCPJO-UHFFFAOYSA-N
InChI
InChI=1S/2C6H9O3.Cu/c2*1-3-9-6(8)4-5(2)7;/h2*4H,3H2,1-2H3;/q2*-1;+2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Copper, bis[ethyl 3-(oxo-κO)butanoato-κO′]-
  • Copper, bis(hydrogen acetoacetato)-, diethyl ester
  • Copper, bis(ethyl 3-oxobutanoato-O1′,O3)-
  • Butanoic acid, 3-oxo-, ethyl ester, copper complex
  • Bis[ethyl 3-(oxo-κO)butanoato-κO′]copper
  • Copperbis(ethyl acetoacetate)
  • Bis(ethyl acetoacetato)copper
  • Bis(ethyl acetylacetato)copper
  • Bis(ethyl acetoacetato)copper(II)
  • NSC 244773
  • Bis(ethyl 3-oxo-butanoato)copper(II)
  • Copper(II) 3-oxobutanoate

Work with Copper bis(ethyl acetylacetate)

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

Copper(II) acetylacetonate13395-16-952 % similar Oxalacetic acid diethyl ester sodium salt40876-98-046 % similar Oxalacetic acid diethyl ester sodium salt52980-17-346 % similar Ethyl acetate141-78-639 % similar Ethyl 3,3-dimethylacrylate638-10-837 % similar (T-4)-Bis(2,4-pentanedionato-κO2,κO4)beryllium10210-64-737 % similar Diethyl carbonate105-58-837 % similar Vanadium(III) acetylacetonate13476-99-837 % similar

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

Elsewhere

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