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Molecule
Diethylmagnesium
CAS: 557-18-6 · C4H10Mg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 557-18-6
- Molecular Formula
- C4H10Mg
- Molecular Mass
- 82.43 g/mol
Identifiers
CAS Registry Number
557-18-6
SMILES
[CH2]C.[CH2]C.[Mg]
InChI Key
HKACPERQNQAGFJ-UHFFFAOYSA-N
InChI
InChI=1S/2C2H5.Mg/c2*1-2;/h2*1H2,2H3;
Names and Synonyms
- Diethylmagnesium Synonym
- Magnesium, diethyl- Synonym
- Diethylmagnesium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.43 g/mol | CAS Common Chemistry |
| 82.429 g/mol | RDKit | |
| 84.445 g/mol | chempirical lib | |
| Canonical SMILES | [Mg](CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C2H5.Mg/c2*1-2;/h2*1H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=HKACPERQNQAGFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 0 °C | CAS Common Chemistry |
| Name | Diethylmagnesium | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.29998 | RDKit |
| 1.3 | RDKit | |
| Molar Refractivity | 27.81599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 82.06329201999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 82.43 g/mol. Edit any field — others recompute live.
