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Molecule
Allyltriethoxysilane
CAS: 2550-04-1 · C9H20O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2550-04-1
- Molecular Formula
- C9H20O3Si
- Molecular Mass
- 204.34 g/mol
Identifiers
CAS Registry Number
2550-04-1
SMILES
C=CC[Si](OCC)(OCC)OCC
InChI Key
UMFJXASDGBJDEB-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3
Names and Synonyms
- Allyltriethoxysilane Synonym
- Silane, triethoxy-2-propen-1-yl- Synonym
- Silane, allyltriethoxy- Synonym
- Silane, triethoxy-2-propenyl- Synonym
- Triethoxy-2-propen-1-ylsilane Synonym
- Allyltriethoxysilane Synonym
- Triethoxyallylsilane Synonym
- A 0564 (coupling agent) Synonym
- A 0564 Synonym
- 3-(Triethoxysilyl)propene Synonym
- 2-Propenyltriethoxysilane Synonym
- NSC 89735 Synonym
- LS 2920 Synonym
- SIA 0525.0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.34 g/mol | CAS Common Chemistry |
| 204.34199999999996 g/mol | RDKit | |
| 204.342 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.903 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 176 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UMFJXASDGBJDEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.2207999999999997 | RDKit |
| 2.2208 | RDKit | |
| Molar Refractivity | 55.636000000000045 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 204.11817103 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
0 ppm
| 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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Quick conversion
MW = 204.34 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H20O3Si.
