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Allyl Trimethylsilyl Ether
CAS: 18146-00-4 | C6H14OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18146-00-4
Molecular Formula:
C6H14OSi
Molecular Weight:
130.26299999999998 g/mol
Names and Synonyms:
Allyl Trimethylsilyl Ether
Silane, trimethyl(2-propen-1-yloxy)-
Silane, (allyloxy)trimethyl-
Silane, trimethyl(2-propenyloxy)-
Trimethyl(2-propen-1-yloxy)silane
(Allyloxy)trimethylsilane
1-Trimethylsiloxy-2-propene
Allyl trimethylsilyl ether
Trimethylallyloxysilane
1-Trimethylsilyloxy-2-propene
Trimethylsilylallyl ether
Trimethyl(2-propenyloxy)silane
3-Trimethylsiloxy-1-propene
Identifiers:
SMILES:
C=CCO[Si](C)(C)C
InChI:
InChI=1S/C6H14OSi/c1-5-6-7-8(2,3)4/h5H,1,6H2,2-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 130.26 g/mol | Legacy Database |
| density | 0.79 g/cm³ | Legacy Database |
| cas-boiling-point | 100-102 °C None | Legacy Database |
| cas-canonical-smile | O(CC=C)[Si](C)(C)C None | Legacy Database |
| cas-density | 0.789 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H14OSi/c1-5-6-7-8(2,3)4/h5H,1,6H2,2-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MNMVKGDEKPPREK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 98-99 °C None | Legacy Database |
| cas-name | Allyl trimethylsilyl ether None | Legacy Database |
| LogP | 2.0239 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.26299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.081391598 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.49500000000001 | RDKit |
