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Molecule
2-(Trimethylsilyloxy)-1,3-Butadiene
CAS: 38053-91-7 · C7H14OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38053-91-7
- Molecular Formula
- C7H14OSi
- Molecular Mass
- 142.27 g/mol
Identifiers
CAS Registry Number
38053-91-7
SMILES
C=CC(=C)O[Si](C)(C)C
InChI Key
JOAPBVRQZQYKMS-UHFFFAOYSA-N
InChI
InChI=1S/C7H14OSi/c1-6-7(2)8-9(3,4)5/h6H,1-2H2,3-5H3
Names and Synonyms
- 2-(Trimethylsilyloxy)-1,3-Butadiene Synonym
- Silane, trimethyl[(1-methylene-2-propen-1-yl)oxy]- Synonym
- Silane, trimethyl[(1-methylene-2-propenyl)oxy]- Synonym
- Trimethyl[(1-methylene-2-propen-1-yl)oxy]silane Synonym
- 2-(Trimethylsiloxy)-1,3-butadiene Synonym
- 2-(Trimethylsilyloxy)-1,3-butadiene Synonym
- 2-Trimethylsilyloxybutadiene Synonym
- 3-Trimethylsiloxy-1,3-butadiene Synonym
- Trimethyl[(1-methylene-2-propenyl)oxy]silane Synonym
- Trimethyl[(1-methyleneprop-2-en-1-yl)oxy]silane Synonym
- (Buta-1,3-dien-2-yloxy)trimethylsilane Synonym
- Trimethyl(1-methyleneallyloxy)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.27 g/mol | CAS Common Chemistry |
| 142.274 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.807 g/cm3 | 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 |
| 2.5376 | RDKit | |
| Molar Refractivity | 43.76800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 142.081391598 g/mol | RDKit |
| Boiling Point | 50-55 °C @ 50 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 142.27 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
