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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 Weight:
70.374 g/mol
Names and Synonyms:
Magnesium Ethoxide
Common Name
Magnesium ethanoate
Synonym
Magnesium ethoxide Mg(OC2H5)2
Synonym
Magnesium ethylate
Synonym
Magnesium ethanolate
Synonym
Magnesium diethoxide
Synonym
Diethoxymagnesium
Synonym
Ethanol, magnesium salt
Synonym
Magnesium ethoxide
Synonym
Ethyl alcohol, magnesium salt
Synonym
Ethanol, magnesium salt (2:1)
Synonym
Identifiers:
SMILES:
CCO.[Mg]
InChI:
InChI=1S/C2H6O.Mg/c1-2-3;/h3H,2H2,1H3;
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 70.37 g/mol | Legacy Database |
| density | 1.01 g/cm³ | Legacy Database |
| cas-canonical-smile | [Mg].OCC None | Legacy Database |
| cas-density | 1.010 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H6O.Mg/c1-2-3;/h3H,2H2,1H3; None | Legacy Database |
| cas-inchi-key | InChIKey=RLWYTFZKQOKDFG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 270 °C (decomp) None | Legacy Database |
| cas-name | Magnesium ethoxide None | Legacy Database |
| LogP | -0.38220000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 70.374 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.026906512 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.5138 | RDKit |