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Molecule
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
Identifiers
CAS Registry Number
76513-69-4
SMILES
C[Si](C)(C)CCOCCl
InChI Key
BPXKZEMBEZGUAH-UHFFFAOYSA-N
InChI
InChI=1S/C6H15ClOSi/c1-9(2,3)5-4-8-6-7/h4-6H2,1-3H3
Names and Synonyms
- 2-(Trimethylsilyl)Ethoxymethyl Chloride Synonym
- Silane, [2-(chloromethoxy)ethyl]trimethyl- Synonym
- [2-(Chloromethoxy)ethyl]trimethylsilane Synonym
- 2-(Trimethylsilyl)ethoxymethyl chloride Synonym
- Chloromethyl 2-(trimethylsilyl)ethyl ether Synonym
- β-(Trimethylsilyl)ethoxymethyl chloride Synonym
- Chloromethyl trimethylsilylethyl ether Synonym
- SEM chloride Synonym
- 2-(Trimethylsilanyl)ethoxymethyl chloride Synonym
- [2-[(Chloromethyl)oxy]ethyl]trimethylsilane Synonym
- [[2-(Trimethylsilyl)ethyl]oxy]methyl chloride Synonym
- SEM Cl Synonym
- [[β-(Trimethylsilyl)ethyl]oxy]methyl chloride Synonym
- (2-(Chloromethoxy)ethyl)trimethylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.72 g/mol | CAS Common Chemistry |
| 166.724 g/mol | RDKit | |
| 166.721 g/mol | chempirical lib | |
| 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 |
| 2.5375 | RDKit | |
| Molar Refractivity | 44.825000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 166.05806930999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 166.72 g/mol. Edit any field — others recompute live.
