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Molecule
Rhodium, Tetrakis[Μ-(Octanoato-Κo:Κo′)]Di-, (Rh-Rh)
CAS: 73482-96-9 · C32H60O8Rh2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 73482-96-9
- Molecular Formula
- C32H60O8Rh2
- Molecular Mass
- 778.64 g/mol
Identifiers
CAS Registry Number
73482-96-9
SMILES
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Rh+2].[Rh+2]
InChI Key
FZXFNYFVNKTQSX-UHFFFAOYSA-J
InChI
InChI=1S/4C8H16O2.2Rh/c4*1-2-3-4-5-6-7-8(9)10;;/h4*2-7H2,1H3,(H,9,10);;/q;;;;2*+2/p-4
Names and Synonyms
- Rhodium, Tetrakis[Μ-(Octanoato-Κo:Κo′)]Di-, (Rh-Rh) Synonym
- Rhodium, tetrakis[μ-(octanoato-κO:κO′)]di-, (Rh-Rh) Synonym
- Rhodium, tetrakis[μ-(octanoato-O:O′)]di-, (Rh-Rh) Synonym
- Octanoic acid, rhodium complex Synonym
- Tetrakis(octanoato)dirhodium Synonym
- Rhodium(II) octanoate dimer Synonym
- Dirhodium tetraoctanoate Synonym
- Rhodium caprylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 778.64 g/mol | CAS Common Chemistry |
| 778.6360000000004 g/mol | RDKit | |
| 778.636 g/mol | RDKit | |
| 788.716 g/mol | chempirical lib | |
| Canonical SMILES | O1=C([O-][Rh+2]234O=C([O-][Rh+2]14(O=C([O-]2)CCCCCCC)[O-]C(=O3)CCCCCCC)CCCCCCC)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/4C8H16O2.2Rh/c4*1-2-3-4-5-6-7-8(9)10;;/h4*2-7H2,1H3,(H,9,10);;/q;;;;2*+2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=FZXFNYFVNKTQSX-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Rhodium, tetrakis[μ-(octanoato-κO:κO′)]di-, (Rh-Rh) | CAS Common Chemistry |
| Heavy Atom Count | 42 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 24 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 160.51999999999998 Ų | RDKit |
| 160.52 Ų | RDKit | |
| LogP | 4.382200000000005 | RDKit |
| 4.3822 | RDKit | |
| Molar Refractivity | 153.53199999999978 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 778.2398268799998 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
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 = 778.64 g/mol. Edit any field — others recompute live.
