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(Chloromethyl)Diethoxymethylsilane
CAS: 2212-10-4 | C6H15ClO2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2212-10-4
Molecular Formula:
C6H15ClO2Si
Molecular Mass:
182.72 g/mol
Names and Synonyms:
(Chloromethyl)Diethoxymethylsilane
Silane, (chloromethyl)diethoxymethyl-
(Chloromethyl)diethoxymethylsilane
(Chloromethyl)methyldiethoxysilane
Identifiers:
SMILES:
CCO[Si](C)(CCl)OCC
InChI:
InChI=1S/C6H15ClO2Si/c1-4-8-10(3,6-7)9-5-2/h4-6H2,1-3H3
Key Properties
Boiling Point
160-161 °C
CAS Common Chemistry
Density
1.00 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 | 182.72 g/mol | CAS Common Chemistry |
| 182.72299999999996 g/mol | RDKit | |
| 182.05298392999998 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 160-161 °C | CAS Common Chemistry |
| Canonical SMILES | ClC[Si](OCC)(OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClO2Si/c1-4-8-10(3,6-7)9-5-2/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XGLLBUISUZEUMW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Chloromethyl)diethoxymethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.9094 | RDKit |
| Molar Refractivity | 45.590000000000025 | RDKit |
