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Molecule
(Chloromethyl)Trimethoxysilane
CAS: 5926-26-1 · C4H11ClO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5926-26-1
- Molecular Formula
- C4H11ClO3Si
- Molecular Mass
- 170.67 g/mol
Identifiers
CAS Registry Number
5926-26-1
SMILES
CO[Si](CCl)(OC)OC
InChI Key
FPOSCXQHGOVVPD-UHFFFAOYSA-N
InChI
InChI=1S/C4H11ClO3Si/c1-6-9(4-5,7-2)8-3/h4H2,1-3H3
Names and Synonyms
- (Chloromethyl)Trimethoxysilane Synonym
- Silane, (chloromethyl)trimethoxy- Synonym
- (Chloromethyl)trimethoxysilane Synonym
- Trimethoxy(chloromethyl)silane Synonym
- Chloro(trimethoxysilyl)methane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.67 g/mol | CAS Common Chemistry |
| 170.668 g/mol | RDKit | |
| 170.665 g/mol | chempirical lib | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.125 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 156 °C | CAS Common Chemistry |
| Canonical SMILES | ClC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11ClO3Si/c1-6-9(4-5,7-2)8-3/h4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FPOSCXQHGOVVPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Chloromethyl)trimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.6424999999999998 | RDKit |
| 0.6425 | RDKit | |
| Molar Refractivity | 37.501000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 170.01659842200002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 170.67 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
