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Molecule
Cadmium Stearate
CAS: 2223-93-0 · C18H36CdO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2223-93-0
- Molecular Formula
- C18H36CdO2
- Molecular Mass
- 396.90 g/mol
Identifiers
CAS Registry Number
2223-93-0
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[Cd]
InChI Key
LVZWBOGDXURBJA-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O2.Cd/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
- Cadmium Stearate Common Name
- Octadecanoic acid, cadmium salt (2:1) Synonym
- Stearic acid, cadmium salt Synonym
- Cadmium stearate Synonym
- Octadecanoic acid, cadmium salt Synonym
- Alaixol 11 Synonym
- Stabilisator SCD Synonym
- Stabilizer SCD Synonym
- SCD Synonym
- Cadmium octadecanoate Synonym
- Cadmium distearate Synonym
- Cadmium(II) stearate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 396.90 g/mol | CAS Common Chemistry |
| 398.174888892 g/mol | RDKit | |
| 396.896 g/mol | RDKit | |
| 398.914 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cadmium_stearate | CAS Common Chemistry |
| Canonical SMILES | [Cd].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Cd/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=LVZWBOGDXURBJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cadmium 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 | |
| 6.63 | 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 | 396.89599999999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 396.90 g/mol. Edit any field — others recompute live.
