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Molecule
Copper(Ii) 2-Ethylhexanoate
CAS: 149-11-1 · C8H16CuO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 149-11-1
- Molecular Formula
- C8H16CuO2
- Molecular Mass
- 207.76 g/mol
Identifiers
CAS Registry Number
149-11-1
SMILES
CCCCC(CC)C(=O)O.[Cu]
InChI Key
JYMPWVNDWJLQKM-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Cu/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Names and Synonyms
- Copper(Ii) 2-Ethylhexanoate Synonym
- Hexanoic acid, 2-ethyl-, copper(2+) salt (2:1) Synonym
- Hexanoic acid, 2-ethyl-, copper(2+) salt Synonym
- Hexanoic acid, 2-ethyl-, copper salt (2:1) Synonym
- Cupric bis(2-ethylhexanoate) Synonym
- 2-Ethylhexanoic acid copper(2+) salt Synonym
- Copper bis(2-ethylhexanoate) Synonym
- Copper di(2-ethylhexanoate) Synonym
- Copper(2+) 2-ethylhexanoate Synonym
- Copper(II) 2-ethylhexanoate Synonym
- NSC 4139 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.76 g/mol | CAS Common Chemistry |
| 208.768 g/mol | chempirical lib | |
| Canonical SMILES | [Cu].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Cu/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=JYMPWVNDWJLQKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 252 °C (decomp) | CAS Common Chemistry |
| Name | Copper(II) 2-ethylhexanoate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.2849 | RDKit |
| Molar Refractivity | 40.9418 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 207.044627252 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 207.76 g/mol. Edit any field — others recompute live.
