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Molecule
Allyltrimethoxysilane
CAS: 2551-83-9 · C6H14O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2551-83-9
- Molecular Formula
- C6H14O3Si
- Molecular Mass
- 162.26 g/mol
Identifiers
CAS Registry Number
2551-83-9
SMILES
C=CC[Si](OC)(OC)OC
InChI Key
LFRDHGNFBLIJIY-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O3Si/c1-5-6-10(7-2,8-3)9-4/h5H,1,6H2,2-4H3
Names and Synonyms
- Allyltrimethoxysilane Synonym
- Silane, trimethoxy-2-propen-1-yl- Synonym
- Silane, allyltrimethoxy- Synonym
- Silane, trimethoxy-2-propenyl- Synonym
- Trimethoxy-2-propen-1-ylsilane Synonym
- Allyltrimethoxysilane Synonym
- Z 6825 Synonym
- A 1504 Synonym
- SIA 0540.0 Synonym
- SP 3 Synonym
- SP 3 (silane) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.26 g/mol | CAS Common Chemistry |
| 162.26099999999997 g/mol | RDKit | |
| 162.261 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.963 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 146-148 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O3Si/c1-5-6-10(7-2,8-3)9-4/h5H,1,6H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LFRDHGNFBLIJIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.0505 | RDKit |
| Molar Refractivity | 41.78500000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 162.071220838 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 162.26 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
