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Trimethylsilylacetylene
CAS: 1066-54-2 | C5H10Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1066-54-2
Molecular Formula:
C5H10Si
Molecular Mass:
98.22 g/mol
Names and Synonyms:
Trimethylsilylacetylene
Silane, ethynyltrimethyl-
Ethynyltrimethylsilane
Trimethylethynylsilane
(Trimethylsilyl)ethyne
1-(Trimethylsilyl)acetylene
1-Trimethylsilylethyne
(Trimethylsilyl)acetylene
Trimethylsilanylethyne
Acetylenyltrimethylsilane
(Trimethylsilanyl)acetylene
2,2-Dimethyl-2-sila-3-butyne
TMS-acetylene
Identifiers:
SMILES:
C#C[Si](C)(C)C
InChI:
InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3
Key Properties
Boiling Point
52 °C
CAS Common Chemistry
Density
0.71 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 | 98.22 g/mol | CAS Common Chemistry |
| 98.22099999999999 g/mol | RDKit | |
| 98.05517685 g/mol | RDKit | |
| Density | 0.71 g/cm³ | CAS Common Chemistry |
| 0.709 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilylacetylene | CAS Common Chemistry |
| Boiling Point | 52 °C | CAS Common Chemistry |
| Canonical SMILES | C#C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CWMFRHBXRUITQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Trimethylsilyl)acetylene | CAS Common Chemistry |
| Trimethylsilylacetylene | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.4969999999999999 | RDKit |
| Molar Refractivity | 32.17899999999999 | RDKit |
