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Ethyl (Trimethylsilyl)Acetate
CAS: 4071-88-9 | C7H16O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4071-88-9
Molecular Formula:
C7H16O2Si
Molecular Mass:
160.29 g/mol
Names and Synonyms:
Ethyl (Trimethylsilyl)Acetate
Acetic acid, 2-(trimethylsilyl)-, ethyl ester
Acetic acid, (trimethylsilyl)-, ethyl ester
Ethyl 2-(trimethylsilyl)acetate
Ethyl α-(trimethylsilyl)acetate
2-(Trimethylsilyl)acetic acid ethyl ester
Ethyl (trimethylsilyl)acetate
NSC 108051
NSC 234752
(Trimethylsilyl)acetic acid ethyl ester
Identifiers:
SMILES:
CCOC(=O)C[Si](C)(C)C
InChI:
InChI=1S/C7H16O2Si/c1-5-9-7(8)6-10(2,3)4/h5-6H2,1-4H3
Key Properties
Boiling Point
157-158 °C
CAS Common Chemistry
Density
0.88 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.29 g/mol | CAS Common Chemistry |
| 160.289 g/mol | RDKit | |
| 160.091956282 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.876 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 157-158 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O2Si/c1-5-9-7(8)6-10(2,3)4/h5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQFBQBDINHJDMN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl (trimethylsilyl)acetate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.8877 | RDKit |
| Molar Refractivity | 44.78600000000002 | RDKit |
