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Trimethyl-1-Propyn-1-Ylsilane
CAS: 6224-91-5 | C6H12Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6224-91-5
Molecular Formula:
C6H12Si
Molecular Weight:
112.24799999999999 g/mol
Names and Synonyms:
Trimethyl-1-Propyn-1-Ylsilane
Silane, trimethyl-1-propyn-1-yl-
Silane, trimethyl-1-propynyl-
Trimethyl-1-propyn-1-ylsilane
Trimethyl-1-propynylsilane
Methyl(trimethylsilyl)acetylene
1-(Trimethylsilyl)-1-propyne
1-(Trimethylsilyl)propyne
T 3728
1-Propynyltrimethylsilane
Methyl(trimethylsilyl)ethyne
1-Methyl-2-trimethylsilylacetylene
Identifiers:
SMILES:
CC#C[Si](C)(C)C
InChI:
InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1-4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 112.24799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 112.070826914 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.8871 | RDKit |
| molecular_mass | 112.25 g/mol | Legacy Database |
| density | 0.76 g/cm³ | Legacy Database |
| cas-boiling-point | 99-100 °C None | Legacy Database |
| cas-canonical-smile | C(#C[Si](C)(C)C)C None | Legacy Database |
| cas-density | 0.758 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DCGLONGLPGISNX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -69 °C None | Legacy Database |
| cas-name | Trimethyl-1-propyn-1-ylsilane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.79600000000001 | RDKit |
