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Methyldiethoxysilane
CAS: 2031-62-1 | C5H14O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2031-62-1
Molecular Formula:
C5H14O2Si
Molecular Mass:
134.25 g/mol
Names and Synonyms:
Methyldiethoxysilane
Silane, diethoxymethyl-
Diethoxymethylsilane
Methyldiethoxysilane
NSC 139844
DEMS
Identifiers:
SMILES:
CCO[SiH](C)OCC
InChI:
InChI=1S/C5H14O2Si/c1-4-6-8(3)7-5-2/h8H,4-5H2,1-3H3
Key Properties
Boiling Point
94-95 °C
CAS Common Chemistry
Melting Point
98 °C
CAS Common Chemistry
Density
0.83 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.25 g/mol | CAS Common Chemistry |
| 134.25099999999998 g/mol | RDKit | |
| 134.076306218 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.829 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 94-95 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[SiH](OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H14O2Si/c1-4-6-8(3)7-5-2/h8H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SOGIFFQYRAXTDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98 °C | CAS Common Chemistry |
| Name | Methyldiethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 0.9097 | RDKit |
| Molar Refractivity | 36.26499999999999 | RDKit |
