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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 Mass:
142.27 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
Key Properties
Boiling Point
50-55 °C @ Press: 50 Torr
CAS Common Chemistry
Density
0.81 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 | 142.27 g/mol | CAS Common Chemistry |
| 142.274 g/mol | RDKit | |
| 142.081391598 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.807 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 50-55 °C @ Press: 50 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C(=C)C=C)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H14OSi/c1-6-7(2)8-9(3,4)5/h6H,1-2H2,3-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JOAPBVRQZQYKMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Trimethylsilyloxy)-1,3-butadiene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.5376000000000003 | RDKit |
| Molar Refractivity | 43.76800000000002 | RDKit |
