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2-(Trimethylsilyloxy)-1,3-Butadiene
CAS: 38053-91-7 | C7H14OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38053-91-7
Molecular Formula:
C7H14OSi
Molecular Weight:
142.274 g/mol
Names and Synonyms:
2-(Trimethylsilyloxy)-1,3-Butadiene
Silane, trimethyl[(1-methylene-2-propen-1-yl)oxy]-
Silane, trimethyl[(1-methylene-2-propenyl)oxy]-
Trimethyl[(1-methylene-2-propen-1-yl)oxy]silane
2-(Trimethylsiloxy)-1,3-butadiene
2-(Trimethylsilyloxy)-1,3-butadiene
2-Trimethylsilyloxybutadiene
3-Trimethylsiloxy-1,3-butadiene
Trimethyl[(1-methylene-2-propenyl)oxy]silane
Trimethyl[(1-methyleneprop-2-en-1-yl)oxy]silane
(Buta-1,3-dien-2-yloxy)trimethylsilane
Trimethyl(1-methyleneallyloxy)silane
Identifiers:
SMILES:
C=CC(=C)O[Si](C)(C)C
InChI:
InChI=1S/C7H14OSi/c1-6-7(2)8-9(3,4)5/h6H,1-2H2,3-5H3
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 |
|---|---|---|
| cas-density | 0.807 g/cm3 None | Legacy Database |
| LogP | 2.5376000000000003 | RDKit |
| molecular_mass | 142.27 g/mol | Legacy Database |
| density | 0.81 g/cm³ | Legacy Database |
| cas-boiling-point | 50-55 °C @ Press: 50 Torr None | Legacy Database |
| cas-canonical-smile | O(C(=C)C=C)[Si](C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H14OSi/c1-6-7(2)8-9(3,4)5/h6H,1-2H2,3-5H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JOAPBVRQZQYKMS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-(Trimethylsilyloxy)-1,3-butadiene None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.274 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.081391598 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 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 | 43.76800000000002 | RDKit |
