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Bis(Cyclooctadiene)Nickel(0)
CAS: 1295-35-8 | C16H24Ni
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1295-35-8
Molecular Formula:
C16H24Ni
Molecular Mass:
275.06 g/mol
Names and Synonyms:
Bis(Cyclooctadiene)Nickel(0)
Nickel, bis[(1,2,5,6-η)-1,5-cyclooctadiene]-
Nickel, bis(1,5-cyclooctadiene)-
1,5-Cyclooctadiene, nickel complex
Bis[(1,2,5,6-η)-1,5-cyclooctadiene]nickel
Bis(1,5-cyclooctadiene)nickel
Bis(cyclooctadiene)nickel
Bis(1,5-cyclooctadiene)nickel(0)
Nickel dicyclooctadiene
Bis-1,5-cyclooctadienylnickel
Dicyclooctadiene nickel
Di(1,5-cyclooctadiene)nickel
Bis(cyclooctadiene)nickel(0)
Bis(η4-1,5-cyclooctadiene)nickel
Bis(cyclooctadienyl)nickel
Nickel bis(cyclooctadiene)
Nickel(COD)2
Identifiers:
SMILES:
C1=CCCC=CCC1.C1=CCCC=CCC1.[Ni]
InChI:
InChI=1S/2C8H12.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;
Key Properties
Melting Point
140-142 °C (decomp)
CAS Common Chemistry
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 | 275.06 g/mol | CAS Common Chemistry |
| 275.0609999999999 g/mol | RDKit | |
| 274.123143668 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 73.49600000000004 | RDKit |
