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Trimethylsilyl Acetate
CAS: 2754-27-0 | C5H12O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2754-27-0
Molecular Formula:
C5H12O2Si
Molecular Weight:
132.23499999999999 g/mol
Names and Synonyms:
Trimethylsilyl Acetate
Trimethyl-1-acetoxysilane
NSC 96780
Acetyloxytrimethylsilane
(Acetato)trimethylsilane
Trimethylsilyl acetate
Acetoxytrimethylsilane
Trimethylacetoxysilane
Silanol, trimethyl-, acetate
Silanol, 1,1,1-trimethyl-, 1-acetate
Identifiers:
SMILES:
CC(=O)O[Si](C)(C)C
InChI:
InChI=1S/C5H12O2Si/c1-5(6)7-8(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 | 132.23499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.06065615400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.3844 | RDKit |
| molecular_mass | 132.23 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| cas-boiling-point | 103-104 °C None | Legacy Database |
| cas-canonical-smile | O=C(O[Si](C)(C)C)C None | Legacy Database |
| cas-density | 0.891 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C5H12O2Si/c1-5(6)7-8(2,3)4/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QHUNJMXHQHHWQP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -32 °C None | Legacy Database |
| cas-name | Trimethylsilyl acetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.111999999999995 | RDKit |
