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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 Weight:
98.22099999999999 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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 98.22 g/mol | Legacy Database |
| density | 0.71 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethylsilylacetylene None | Legacy Database |
| cas-boiling-point | 52 °C None | Legacy Database |
| cas-canonical-smile | C#C[Si](C)(C)C None | Legacy Database |
| cas-density | 0.709 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CWMFRHBXRUITQE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (Trimethylsilyl)acetylene None | Legacy Database |
| wikipedia-name | Trimethylsilylacetylene None | Legacy Database |
| LogP | 1.4969999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 98.22099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 98.05517685 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.17899999999999 | RDKit |
