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Allyltriethoxysilane
CAS: 2550-04-1 | C9H20O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2550-04-1
Molecular Formula:
C9H20O3Si
Molecular Mass:
204.34 g/mol
Names and Synonyms:
Allyltriethoxysilane
Silane, triethoxy-2-propen-1-yl-
Silane, allyltriethoxy-
Silane, triethoxy-2-propenyl-
Triethoxy-2-propen-1-ylsilane
Allyltriethoxysilane
Triethoxyallylsilane
A 0564 (coupling agent)
A 0564
3-(Triethoxysilyl)propene
2-Propenyltriethoxysilane
NSC 89735
LS 2920
SIA 0525.0
Identifiers:
SMILES:
C=CC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3
Key Properties
Boiling Point
176 °C
CAS Common Chemistry
Density
0.90 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 | 204.34 g/mol | CAS Common Chemistry |
| 204.34199999999996 g/mol | RDKit | |
| 204.11817103 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.903 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 176 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UMFJXASDGBJDEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.2207999999999997 | RDKit |
| Molar Refractivity | 55.636000000000045 | RDKit |
