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Molecule
Trimethyl-1-Propyn-1-Ylsilane
CAS: 6224-91-5 · C6H12Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6224-91-5
- Molecular Formula
- C6H12Si
- Molecular Mass
- 112.25 g/mol
Identifiers
CAS Registry Number
6224-91-5
SMILES
CC#C[Si](C)(C)C
InChI Key
DCGLONGLPGISNX-UHFFFAOYSA-N
InChI
InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1-4H3
Names and Synonyms
- Trimethyl-1-Propyn-1-Ylsilane Synonym
- Silane, trimethyl-1-propyn-1-yl- Synonym
- Silane, trimethyl-1-propynyl- Synonym
- Trimethyl-1-propyn-1-ylsilane Synonym
- Trimethyl-1-propynylsilane Synonym
- Methyl(trimethylsilyl)acetylene Synonym
- 1-(Trimethylsilyl)-1-propyne Synonym
- 1-(Trimethylsilyl)propyne Synonym
- T 3728 Synonym
- 1-Propynyltrimethylsilane Synonym
- Methyl(trimethylsilyl)ethyne Synonym
- 1-Methyl-2-trimethylsilylacetylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.25 g/mol | CAS Common Chemistry |
| 112.24799999999999 g/mol | RDKit | |
| 112.248 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.758 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 99-100 °C | CAS Common Chemistry |
| Canonical SMILES | C(#C[Si](C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DCGLONGLPGISNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -69 °C | CAS Common Chemistry |
| Name | Trimethyl-1-propyn-1-ylsilane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 1.8871 | RDKit |
| Molar Refractivity | 36.79600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 112.070826914 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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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Quick conversion
MW = 112.25 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12Si.
