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Cupric Oleate
CAS: 1120-44-1 | C18H34CuO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1120-44-1
Molecular Formula:
C18H34CuO2
Molecular Mass:
346.01 g/mol
Names and Synonyms:
Cupric Oleate
9-Octadecenoic acid (9Z)-, copper(2+) salt (2:1)
Oleic acid, copper(2+) salt
9-Octadecenoic acid (Z)-, copper(2+) salt
9-Octadecenoic acid (9Z)-, copper(2+) salt
Copper cis-9-octadecenoate
Cupric oleate
Copper(II) oleate
Copper(2+) oleate
Copper dioleate
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)O.[Cu]
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-;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.01 g/mol | CAS Common Chemistry |
| 346.0139999999999 g/mol | RDKit | |
| 345.185477828 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 87.08780000000007 | RDKit |
