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Molecule
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 Mass
- 98.43 g/mol
Identifiers
CAS Registry Number
32149-57-8
SMILES
CC(C)(C)O.[Mg]
InChI Key
YJEURMNULDBJRQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Mg/c1-4(2,3)5;/h5H,1-3H3;
Names and Synonyms
- Magnesium Tert-Butoxide Common Name
- 2-Propanol, 2-methyl-, magnesium salt (2:1) Synonym
- tert-Butyl alcohol, magnesium salt Synonym
- 2-Propanol, 2-methyl-, magnesium salt Synonym
- Magnesium tert-butoxide Synonym
- Magnesium di-tert-butoxide Synonym
- Di(tert-butoxy)magnesium Synonym
- Magnesium bis(tert-butoxide) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.43 g/mol | CAS Common Chemistry |
| 98.428 g/mol | RDKit | |
| 100.444 g/mol | chempirical lib | |
| Canonical SMILES | [Mg].OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Mg/c1-4(2,3)5;/h5H,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=YJEURMNULDBJRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium tert-butoxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.3963999999999999 | RDKit |
| 0.3964 | RDKit | |
| Molar Refractivity | 27.725799999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 98.05820664 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
7
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5
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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 = 98.43 g/mol. Edit any field — others recompute live.
