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Trimethyl(2-Propyn-1-Yloxy)Silane
CAS: 5582-62-7 | C6H12OSi
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
5582-62-7
Molecular Formula:
C6H12OSi
Molecular Weight:
128.24699999999999 g/mol
Names and Synonyms:
Trimethyl(2-Propyn-1-Yloxy)Silane
Silane, trimethyl(2-propyn-1-yloxy)-
Silane, trimethyl(2-propynyloxy)-
Trimethyl(2-propyn-1-yloxy)silane
Propargyl trimethylsilyl ether
1-(Trimethylsiloxy)-2-propyne
Trimethyl(propargyloxy)silane
3-(Trimethylsilyloxy)propyne
Trimethyl(2-propynyloxy)silane
3-(Trimethylsiloxy)-1-propyne
O-(Trimethylsilyl)propargyl alcohol
Propargyloxytrimethylsilane
(2-Propynyloxy)trimethylsilane
3-(Trimethylsilyloxy)-1-propyne
Identifiers:
SMILES:
C#CCO[Si](C)(C)C
InChI:
InChI=1S/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.24699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.065741534 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.4711 | RDKit |
| molecular_mass | 128.25 g/mol | Legacy Database |
| density | 0.83 g/cm³ | Legacy Database |
| cas-boiling-point | 110-111 °C None | Legacy Database |
| cas-canonical-smile | C#CCO[Si](C)(C)C None | Legacy Database |
| cas-density | 0.833 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZZRPJWCNCLSOLR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Trimethyl(2-propyn-1-yloxy)silane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.13100000000001 | RDKit |
