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Molecule
Bis(Cyclooctadiene)Nickel(0)
CAS: 1295-35-8 · C16H24Ni
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1295-35-8
- Molecular Formula
- C16H24Ni
- Molecular Mass
- 275.06 g/mol
Identifiers
CAS Registry Number
1295-35-8
SMILES
C1=CCCC=CCC1.C1=CCCC=CCC1.[Ni]
InChI Key
JRTIUDXYIUKIIE-UHFFFAOYSA-N
InChI
InChI=1S/2C8H12.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;
Names and Synonyms
- Bis(Cyclooctadiene)Nickel(0) Synonym
- Nickel, bis[(1,2,5,6-η)-1,5-cyclooctadiene]- Synonym
- Nickel, bis(1,5-cyclooctadiene)- Synonym
- 1,5-Cyclooctadiene, nickel complex Synonym
- Bis[(1,2,5,6-η)-1,5-cyclooctadiene]nickel Synonym
- Bis(1,5-cyclooctadiene)nickel Synonym
- Bis(cyclooctadiene)nickel Synonym
- Bis(1,5-cyclooctadiene)nickel(0) Synonym
- Nickel dicyclooctadiene Synonym
- Bis-1,5-cyclooctadienylnickel Synonym
- Dicyclooctadiene nickel Synonym
- Di(1,5-cyclooctadiene)nickel Synonym
- Bis(cyclooctadiene)nickel(0) Synonym
- Bis(η4-1,5-cyclooctadiene)nickel Synonym
- Bis(cyclooctadienyl)nickel Synonym
- Nickel bis(cyclooctadiene) Synonym
- Nickel(COD)2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.06 g/mol | CAS Common Chemistry |
| 275.0609999999999 g/mol | RDKit | |
| 275.061 g/mol | RDKit | |
| 277.077 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(cyclooctadiene)nickel(0) | CAS Common Chemistry |
| Canonical SMILES | C1C[CH]2=[CH]3CC[CH]4=[CH]1[Ni]243567[CH]=8CC[CH]7=[CH]6CC[CH]85 | CAS Common Chemistry |
| InChI | InChI=1S/2C8H12.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2; | CAS Common Chemistry |
| InChI Key | InChIKey=JRTIUDXYIUKIIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140-142 °C (decomp) | CAS Common Chemistry |
| Name | Bis(1,5-cyclooctadiene)nickel | CAS Common Chemistry |
| Bis(cyclooctadiene)nickel(0) | CAS Common Chemistry | |
| Heavy Atom Count | 17 | 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 | 5.343100000000005 | RDKit |
| 5.3431 | RDKit | |
| 5.06 | chempirical lib | |
| Molar Refractivity | 73.49600000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 274.123143668 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
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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.
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MW = 275.06 g/mol. Edit any field — others recompute live.
