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Molecule
Cupric Oleate
CAS: 1120-44-1 · C18H34CuO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1120-44-1
- Molecular Formula
- C18H34CuO2
- Molecular Mass
- 346.01 g/mol
Identifiers
CAS Registry Number
1120-44-1
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)O.[Cu]
InChI Key
XVBODFCHDIQCGK-KVVVOXFISA-N
InChI
InChI=1S/C18H34O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/b10-9-;
Names and Synonyms
- Cupric Oleate Synonym
- 9-Octadecenoic acid (9Z)-, copper(2+) salt (2:1) Synonym
- Oleic acid, copper(2+) salt Synonym
- 9-Octadecenoic acid (Z)-, copper(2+) salt Synonym
- 9-Octadecenoic acid (9Z)-, copper(2+) salt Synonym
- Copper cis-9-octadecenoate Synonym
- Cupric oleate Synonym
- Copper(II) oleate Synonym
- Copper(2+) oleate Synonym
- Copper dioleate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.01 g/mol | CAS Common Chemistry |
| 346.0139999999999 g/mol | RDKit | |
| 346.014 g/mol | RDKit | |
| 347.022 g/mol | chempirical lib | |
| Canonical SMILES | [Cu].O=C(O)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/b10-9-; | CAS Common Chemistry |
| InChI Key | InChIKey=XVBODFCHDIQCGK-KVVVOXFISA-N | CAS Common Chemistry |
| Name | Cupric oleate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 6.106000000000006 | RDKit |
| 6.106 | RDKit | |
| 6.15 | chempirical lib | |
| Molar Refractivity | 87.08780000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 345.185477828 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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 = 346.01 g/mol. Edit any field — others recompute live.
