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Dirhenium Decacarbonyl
CAS: 14285-68-8 | C10O10Re2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14285-68-8
Molecular Formula:
C10O10Re2
Molecular Mass:
652.51 g/mol
Names and Synonyms:
Dirhenium Decacarbonyl
Rhenium, decacarbonyldi-, (Re-Re)
Rhenium carbonyl (Re2(CO)10)
Rhenium, decacarbonyldi-
Decacarbonyldirhenium
Dirhenium decacarbonyl
Decacarbonyldirhenium(0)
NSC 158174
Pentacarbonylrhenium dimer
Identifiers:
SMILES:
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]
InChI:
InChI=1S/10CO.2Re/c10*1-2;;
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 | 652.51 g/mol | CAS Common Chemistry |
| 652.5139999999999 g/mol | RDKit | |
| 653.8606524 g/mol | RDKit | |
| 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 |
| 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 |
| LogP | -0.3801 | RDKit |
| Molar Refractivity | 39.294999999999995 | RDKit |
