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Molecule
Dirhenium Decacarbonyl
CAS: 14285-68-8 · C10O10Re2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14285-68-8
- Molecular Formula
- C10O10Re2
- Molecular Mass
- 652.5139999999999 g/mol
Identifiers
CAS Registry Number
14285-68-8
SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]
InChI Key
ZIZHEHXAMPQGEK-UHFFFAOYSA-N
InChI
InChI=1S/10CO.2Re/c10*1-2;;
Names and Synonyms
- Dirhenium Decacarbonyl Common Name
- Rhenium, decacarbonyldi-, (Re-Re) Synonym
- Rhenium carbonyl (Re2(CO)10) Synonym
- Rhenium, decacarbonyldi- Synonym
- Decacarbonyldirhenium Synonym
- Dirhenium decacarbonyl Synonym
- Decacarbonyldirhenium(0) Synonym
- NSC 158174 Synonym
- Pentacarbonylrhenium dimer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Dirhenium_decacarbonyl | CAS Common Chemistry |
| Canonical SMILES | O#C[Re](C#O)(C#O)(C#O)(C#O)[Re](C#O)(C#O)(C#O)(C#O)C#O | CAS Common Chemistry |
| InChI | InChI=1S/10CO.2Re/c10*1-2;; | CAS Common Chemistry |
| InChI Key | InChIKey=ZIZHEHXAMPQGEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dirhenium decacarbonyl | CAS Common Chemistry |
| Molecular Mass | 652.5139999999999 g/mol | RDKit |
| 653.8606524 g/mol | RDKit | |
| 652.514 g/mol | RDKit | |
| 660.578 g/mol | chempirical lib | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 199.00000000000003 Ų | RDKit |
| 199.0 Ų | RDKit | |
| LogP | -0.3801 | RDKit |
| Molar Refractivity | 39.294999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 652.51 g/mol | CAS Common Chemistry |
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
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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 = 652.51 g/mol. Edit any field — others recompute live.
