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Molecule
Copper(Ii) Stearate
CAS: 660-60-6 · C18H36CuO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 660-60-6
- Molecular Formula
- C18H36CuO2
- Molecular Mass
- 348.03 g/mol
Identifiers
CAS Registry Number
660-60-6
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[Cu]
InChI Key
YVENFKCVDQUMMA-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);
Names and Synonyms
- Copper(Ii) Stearate Synonym
- Octadecanoic acid, copper(2+) salt (2:1) Synonym
- Stearic acid, copper(2+) salt Synonym
- Octadecanoic acid, copper(2+) salt Synonym
- Cupric stearate Synonym
- Copper(II) stearate Synonym
- Copper(2+) stearate Synonym
- Copper distearate Synonym
- Cupric distearate Synonym
- Cupric octadecanoate Synonym
- Copper(II) octadecanoate Synonym
- Copper bis(octadecanoate) Synonym
- Copper dioctadecanoate Synonym
- Cu(octanoate)2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 348.03 g/mol | CAS Common Chemistry |
| 348.0299999999999 g/mol | RDKit | |
| 349.038 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(II)_stearate | CAS Common Chemistry |
| Canonical SMILES | [Cu].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20); | CAS Common Chemistry |
| InChI Key | InChIKey=YVENFKCVDQUMMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 250 °C | CAS Common Chemistry |
| Name | Cupric stearate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 6.330000000000006 | RDKit |
| 6.33 | RDKit | |
| 6.51 | chempirical lib | |
| Molar Refractivity | 87.18180000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 347.201127892 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 348.03 g/mol. Edit any field — others recompute live.
