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(3-Chloropropyl)Dimethoxymethylsilane
CAS: 18171-19-2 | C6H15ClO2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18171-19-2
Molecular Formula:
C6H15ClO2Si
Molecular Mass:
182.72 g/mol
Names and Synonyms:
(3-Chloropropyl)Dimethoxymethylsilane
Silane, (3-chloropropyl)dimethoxymethyl-
(3-Chloropropyl)dimethoxymethylsilane
(γ-Chloropropyl)dimethoxymethylsilane
(3-Chloropropyl)methyldimethoxysilane
(γ-Chloropropyl)methyldimethoxysilane
Sila-Ace S 610
(α-Chloropropyl)(dimethoxymethyl)silane
Dimethoxymethyl(3-chloropropyl)silane
SIC 2355
DB 221
Identifiers:
SMILES:
CO[Si](C)(CCCCl)OC
InChI:
InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3
Key Properties
Boiling Point
70-72 °C @ Press: 11 Torr
CAS Common Chemistry
Density
1.03 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 |
| 182.723 g/mol | RDKit | |
| 182.05298392999998 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 70-72 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCC[Si](OC)(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KNTKCYKJRSMRMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropyl)dimethoxymethylsilane | 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 | 1.9801 | RDKit |
| Molar Refractivity | 45.78000000000002 | RDKit |
