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Molecule
Chlorobis(Cyclooctene)Rhodium Dimer
CAS: 12279-09-3 · C32H56Cl2Rh2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12279-09-3
- Molecular Formula
- C32H56Cl2Rh2
- Molecular Mass
- 717.52 g/mol
Identifiers
CAS Registry Number
12279-09-3
SMILES
C1=CCCCCCC1.C1=CCCCCCC1.C1=CCCCCCC1.C1=CCCCCCC1.[Cl-].[Cl-].[Rh+].[Rh+]
InChI Key
GQPAPAIPOLEZHT-UHFFFAOYSA-L
InChI
InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2
Names and Synonyms
- Chlorobis(Cyclooctene)Rhodium Dimer Synonym
- Rhodium, di-μ-chlorotetrakis[(1,2-η)-cyclooctene]di- Synonym
- Rhodium, di-μ-chlorotetrakis(cyclooctene)di- Synonym
- Cyclooctene, rhodium complex Synonym
- Di-μ-chlorotetrakis[(1,2-η)-cyclooctene]dirhodium Synonym
- Di-μ-Chlorotetrakis(cyclooctene)dirhodium Synonym
- Chlorobis(cyclooctene)rhodium(I) dimer Synonym
- Chlorobis(cyclooctene)rhodium dimer Synonym
- Bis(chlorobis(cyclooctene)rhodium) Synonym
- Bis((μ-chloro)bis(cyclooctene)rhodium) Synonym
- Bis(μ-chloro)tetracyclooctenedirhodium Synonym
- Bis((μ-chloro)bis(η2-cyclooctene)rhodium) Synonym
- Di-μ-chlorotetrakis(η2-cyclooctene)dirhodium(I) Synonym
- [RhCl(coe)2]2 Synonym
- [Rh(coe)2Cl]2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 717.52 g/mol | CAS Common Chemistry |
| 717.5180000000005 g/mol | RDKit | |
| 717.518 g/mol | RDKit | |
| 725.576 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorobis(cyclooctene)rhodium_dimer | CAS Common Chemistry |
| Canonical SMILES | [Cl-]1[Rh+]23([Cl-][Rh+]145([CH]=6CCCCCC[CH]64)[CH]=7CCCCCC[CH]75)([CH]=8CCCCCC[CH]82)[CH]=9CCCCCC[CH]93 | CAS Common Chemistry |
| InChI | InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=GQPAPAIPOLEZHT-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 140 °C (decomp) | CAS Common Chemistry |
| Name | Di-μ-chlorotetrakis[(1,2-η)-cyclooctene]dirhodium | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.590200000000005 | RDKit |
| 5.5902 | RDKit | |
| Molar Refractivity | 147.36799999999988 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 716.186915152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 717.52 g/mol. Edit any field — others recompute live.
