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Molecule
Copper Bis(Ethyl Acetylacetate)
CAS: 14284-06-1 · C12H18CuO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14284-06-1
- Molecular Formula
- C12H18CuO6
- Molecular Mass
- 321.82 g/mol
Identifiers
CAS Registry Number
14284-06-1
SMILES
CCOC(=O)[CH-]C(C)=O.CCOC(=O)[CH-]C(C)=O.[Cu+2]
InChI Key
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
Names and Synonyms
- Copper Bis(Ethyl Acetylacetate) Common Name
- Copper, bis[ethyl 3-(oxo-κO)butanoato-κO′]- Synonym
- Copper, bis(hydrogen acetoacetato)-, diethyl ester Synonym
- Copper, bis(ethyl 3-oxobutanoato-O1′,O3)- Synonym
- Butanoic acid, 3-oxo-, ethyl ester, copper complex Synonym
- Bis[ethyl 3-(oxo-κO)butanoato-κO′]copper Synonym
- Copperbis(ethyl acetoacetate) Synonym
- Bis(ethyl acetoacetato)copper Synonym
- Copper bis(ethyl acetylacetate) Synonym
- Bis(ethyl acetylacetato)copper Synonym
- Bis(ethyl acetoacetato)copper(II) Synonym
- NSC 244773 Synonym
- Bis(ethyl 3-oxo-butanoato)copper(II) Synonym
- Copper(II) 3-oxobutanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.82 g/mol | CAS Common Chemistry |
| 321.816 g/mol | RDKit | |
| 324.84 g/mol | chempirical lib | |
| Canonical SMILES | O(C1=O[Cu+2]2(O=C(OCC)[CH-]C(=O2)C)O=C([CH-]1)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C6H9O3.Cu/c2*1-3-9-6(8)4-5(2)7;/h2*4H,3H2,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=OXFZSJOUPRCPJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper bis(ethyl acetylacetate) | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.74000000000001 Ų | RDKit |
| 86.74 Ų | RDKit | |
| LogP | 0.6830799999999999 | RDKit |
| 0.6831 | RDKit | |
| Molar Refractivity | 63.22800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 321.039935796 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 321.82 g/mol. Edit any field — others recompute live.
