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Allyltrimethoxysilane
CAS: 2551-83-9 | C6H14O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2551-83-9
Molecular Formula:
C6H14O3Si
Molecular Mass:
162.26 g/mol
Names and Synonyms:
Allyltrimethoxysilane
Silane, trimethoxy-2-propen-1-yl-
Silane, allyltrimethoxy-
Silane, trimethoxy-2-propenyl-
Trimethoxy-2-propen-1-ylsilane
Allyltrimethoxysilane
Z 6825
A 1504
SIA 0540.0
SP 3
SP 3 (silane)
Identifiers:
SMILES:
C=CC[Si](OC)(OC)OC
InChI:
InChI=1S/C6H14O3Si/c1-5-6-10(7-2,8-3)9-4/h5H,1,6H2,2-4H3
Key Properties
Boiling Point
146-148 °C
CAS Common Chemistry
Density
0.96 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 | 162.26 g/mol | CAS Common Chemistry |
| 162.26099999999997 g/mol | RDKit | |
| 162.071220838 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.963 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 146-148 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O3Si/c1-5-6-10(7-2,8-3)9-4/h5H,1,6H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LFRDHGNFBLIJIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.0505 | RDKit |
| Molar Refractivity | 41.78500000000002 | RDKit |
