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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
Magnesium ethanoate
Magnesium ethoxide Mg(OC2H5)2
Magnesium ethylate
Magnesium ethanolate
Magnesium diethoxide
Diethoxymagnesium
Ethanol, magnesium salt
Magnesium ethoxide
Ethyl alcohol, magnesium salt
Ethanol, magnesium salt (2:1)
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 |
|---|
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 |
