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Molecule
Magnesium Ethoxide
CAS: 2414-98-4 · C2H6MgO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2414-98-4
- Molecular Formula
- C2H6MgO
- Molecular Mass
- 70.37 g/mol
Identifiers
CAS Registry Number
2414-98-4
SMILES
CCO.[Mg]
InChI Key
RLWYTFZKQOKDFG-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O.Mg/c1-2-3;/h3H,2H2,1H3;
Names and Synonyms
- Magnesium Ethoxide Common Name
- Ethanol, magnesium salt (2:1) Synonym
- Ethyl alcohol, magnesium salt Synonym
- Magnesium ethoxide Synonym
- Ethanol, magnesium salt Synonym
- Diethoxymagnesium Synonym
- Magnesium diethoxide Synonym
- Magnesium ethanolate Synonym
- Magnesium ethylate Synonym
- Magnesium ethoxide Mg(OC2H5)2 Synonym
- Magnesium ethanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.010 g/cm3 | CAS Common Chemistry |
| 1.01 g/cm³ | CAS Common Chemistry | |
| Canonical SMILES | [Mg].OCC | CAS Common Chemistry |
| Molecular Mass | 70.37 g/mol | CAS Common Chemistry |
| 70.374 g/mol | RDKit | |
| 72.39 g/mol | chempirical lib | |
| InChI | InChI=1S/C2H6O.Mg/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=RLWYTFZKQOKDFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C (decomp) | CAS Common Chemistry |
| Name | Magnesium ethoxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.38220000000000004 | RDKit |
| -0.3822 | RDKit | |
| Molar Refractivity | 18.5138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 70.026906512 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
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120
100
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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 = 70.37 g/mol. Edit any field — others recompute live.
