Back to Search
Acetic Acid, 2-(Trimethylsilyl)-, Methyl Ester
CAS: 2916-76-9 | C6H14O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2916-76-9
Molecular Formula:
C6H14O2Si
Molecular Weight:
146.262 g/mol
Names and Synonyms:
Acetic Acid, 2-(Trimethylsilyl)-, Methyl Ester
Acetic acid, 2-(trimethylsilyl)-, methyl ester
Acetic acid, (trimethylsilyl)-, methyl ester
Methyl trimethylsilylacetate
NSC 601813
Methyl 2-(trimethylsilyl)acetate
Identifiers:
SMILES:
COC(=O)C[Si](C)(C)C
InChI:
InChI=1S/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 146.26 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| cas-boiling-point | 62-64 °C @ Press: 50 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OC)C[Si](C)(C)C None | Legacy Database |
| cas-density | 0.890 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JIHUZDFFYVRXKP-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Acetic acid, 2-(trimethylsilyl)-, methyl ester None | Legacy Database |
| LogP | 1.4975999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.262 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.076306218 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.16900000000001 | RDKit |
