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Molecule
Dichloro[(1,2,5,6-Η)-1,5-Cyclooctadiene]Ruthenium
CAS: 50982-12-2 · C8H12Cl2Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 50982-12-2
- Molecular Formula
- C8H12Cl2Ru
- Molecular Mass
- 280.16 g/mol
Identifiers
CAS Registry Number
50982-12-2
SMILES
C1=CCCC=CCC1.[Cl-].[Cl-].[Ru+2]
InChI Key
DMRVBCXRFYZCPR-UHFFFAOYSA-L
InChI
InChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
Names and Synonyms
- Dichloro[(1,2,5,6-Η)-1,5-Cyclooctadiene]Ruthenium Synonym
- Ruthenium, dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]- Synonym
- Ruthenium, dichloro(1,5-cyclooctadiene)- Synonym
- 1,5-Cyclooctadiene, ruthenium complex Synonym
- Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]ruthenium Synonym
- Dichloro(1,5-cyclooctadiene)ruthenium Synonym
- Cyclooctadieneruthenium dichloride Synonym
- Dichloro(cyclooctadiene)ruthenium Synonym
- dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]ruthenium Synonym
- NSC 71324 Synonym
- 1,5-Cyclooctadienedichlororuthenium Synonym
- Dichloro(1,5-cyclooctadiene)ruthenium(II) Synonym
- (1,5-Cyclooctadiene)dichlororuthenium homopolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.16 g/mol | CAS Common Chemistry |
| 280.15999999999997 g/mol | RDKit | |
| 285.194 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-][Ru+2]123([Cl-])[CH]=4CC[CH]3=[CH]2CC[CH]41 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12.2ClH.Ru/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=DMRVBCXRFYZCPR-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]ruthenium | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | -3.321699999999997 | RDKit |
| -3.3217 | RDKit | |
| Molar Refractivity | 36.748 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 279.935955044 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 280.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12Cl2Ru.
