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2-(Trimethylsilyl)Ethoxymethyl Chloride
CAS: 76513-69-4 | C6H15ClOSi
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
76513-69-4
Molecular Formula:
C6H15ClOSi
Molecular Mass:
166.72 g/mol
Names and Synonyms:
2-(Trimethylsilyl)Ethoxymethyl Chloride
Silane, [2-(chloromethoxy)ethyl]trimethyl-
[2-(Chloromethoxy)ethyl]trimethylsilane
2-(Trimethylsilyl)ethoxymethyl chloride
Chloromethyl 2-(trimethylsilyl)ethyl ether
β-(Trimethylsilyl)ethoxymethyl chloride
Chloromethyl trimethylsilylethyl ether
SEM chloride
2-(Trimethylsilanyl)ethoxymethyl chloride
[2-[(Chloromethyl)oxy]ethyl]trimethylsilane
[[2-(Trimethylsilyl)ethyl]oxy]methyl chloride
SEM Cl
[[β-(Trimethylsilyl)ethyl]oxy]methyl chloride
(2-(Chloromethoxy)ethyl)trimethylsilane
Identifiers:
SMILES:
C[Si](C)(C)CCOCCl
InChI:
InChI=1S/C6H15ClOSi/c1-9(2,3)5-4-8-6-7/h4-6H2,1-3H3
Key Properties
Boiling Point
57.00 °C
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 | 166.72 g/mol | CAS Common Chemistry |
| 166.724 g/mol | RDKit | |
| 166.05806930999998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-(Trimethylsilyl)ethoxymethyl_chloride | CAS Common Chemistry |
| Boiling Point | 57.00 °C | CAS Common Chemistry |
| Canonical SMILES | ClCOCC[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClOSi/c1-9(2,3)5-4-8-6-7/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BPXKZEMBEZGUAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Trimethylsilyl)ethoxymethyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.5375000000000005 | RDKit |
| Molar Refractivity | 44.825000000000024 | RDKit |
