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Magnesium Tert-Butoxide
CAS: 32149-57-8 | C4H10MgO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32149-57-8
Molecular Formula:
C4H10MgO
Molecular Weight:
98.428 g/mol
Names and Synonyms:
Magnesium Tert-Butoxide
Magnesium bis(tert-butoxide)
Di(tert-butoxy)magnesium
Magnesium di-tert-butoxide
Magnesium tert-butoxide
2-Propanol, 2-methyl-, magnesium salt
tert-Butyl alcohol, magnesium salt
2-Propanol, 2-methyl-, magnesium salt (2:1)
Identifiers:
SMILES:
CC(C)(C)O.[Mg]
InChI:
InChI=1S/C4H10O.Mg/c1-4(2,3)5;/h5H,1-3H3;
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 | 98.43 g/mol | Legacy Database |
| cas-canonical-smile | [Mg].OC(C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H10O.Mg/c1-4(2,3)5;/h5H,1-3H3; None | Legacy Database |
| cas-inchi-key | InChIKey=YJEURMNULDBJRQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Magnesium tert-butoxide None | Legacy Database |
| LogP | 0.3963999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 98.428 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 98.05820664 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 | 27.725799999999985 | RDKit |
