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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
Names and Synonyms:
Allyltrimethylsilane
Silane, trimethyl-2-propen-1-yl-
Silane, allyltrimethyl-
Silane, trimethyl-2-propenyl-
Trimethyl-2-propen-1-ylsilane
Allyltrimethylsilane
Trimethylallylsilane
3-(Trimethylsilyl)propene
3-(Trimethylsilyl)-1-propene
Trimethyl(2-propenyl)silane
SIA 0555.0
Identifiers:
SMILES:
C=CC[Si](C)(C)C
InChI:
InChI=1S/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
Key Properties
Boiling Point
86 °C
CAS Common Chemistry
Density
0.72 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 | 114.26 g/mol | CAS Common Chemistry |
| 114.26399999999998 g/mol | RDKit | |
| 114.086476978 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 |
| Molar Refractivity | 38.35000000000001 | RDKit |
