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Molecule
Allyltrimethylsilane
CAS: 762-72-1 · C6H14Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 762-72-1
- Molecular Formula
- C6H14Si
- Molecular Mass
- 114.26 g/mol
Identifiers
CAS Registry Number
762-72-1
SMILES
C=CC[Si](C)(C)C
InChI Key
HYWCXWRMUZYRPH-UHFFFAOYSA-N
InChI
InChI=1S/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
Names and Synonyms
- Allyltrimethylsilane Common Name
- Silane, trimethyl-2-propen-1-yl- Synonym
- Silane, allyltrimethyl- Synonym
- Silane, trimethyl-2-propenyl- Synonym
- Trimethyl-2-propen-1-ylsilane Synonym
- Allyltrimethylsilane Synonym
- Trimethylallylsilane Synonym
- 3-(Trimethylsilyl)propene Synonym
- 3-(Trimethylsilyl)-1-propene Synonym
- Trimethyl(2-propenyl)silane Synonym
- SIA 0555.0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.26 g/mol | CAS Common Chemistry |
| 114.26399999999998 g/mol | RDKit | |
| 114.264 g/mol | RDKit | |
| Density | 0.72 g/cm³ | CAS Common Chemistry |
| 0.719 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Allyltrimethylsilane | CAS Common Chemistry |
| Boiling Point | 86 °C | CAS Common Chemistry |
| Canonical SMILES | C=CC[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HYWCXWRMUZYRPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyltrimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5106 | RDKit |
| 2.48 | chempirical lib | |
| Molar Refractivity | 38.35000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 114.086476978 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 114.26 g/mol; density = 0.720 g/mL. Edit any field — others recompute live.
