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Molecule
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
Identifiers
CAS Registry Number
1066-54-2
SMILES
C#C[Si](C)(C)C
InChI Key
CWMFRHBXRUITQE-UHFFFAOYSA-N
InChI
InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3
Names and Synonyms
- Trimethylsilylacetylene Synonym
- Silane, ethynyltrimethyl- Synonym
- Ethynyltrimethylsilane Synonym
- Trimethylethynylsilane Synonym
- (Trimethylsilyl)ethyne Synonym
- 1-(Trimethylsilyl)acetylene Synonym
- 1-Trimethylsilylethyne Synonym
- (Trimethylsilyl)acetylene Synonym
- Trimethylsilanylethyne Synonym
- Acetylenyltrimethylsilane Synonym
- (Trimethylsilanyl)acetylene Synonym
- 2,2-Dimethyl-2-sila-3-butyne Synonym
- TMS-acetylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.22 g/mol | CAS Common Chemistry |
| 98.22099999999999 g/mol | RDKit | |
| 98.221 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 |
| 1.497 | RDKit | |
| Molar Refractivity | 32.17899999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 98.05517685 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 98.22 g/mol; density = 0.710 g/mL. Edit any field — others recompute live.
