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Molecule
Acetic Acid, 2-(Trimethylsilyl)-, Methyl Ester
CAS: 2916-76-9 · C6H14O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2916-76-9
- Molecular Formula
- C6H14O2Si
- Molecular Mass
- 146.26 g/mol
Identifiers
CAS Registry Number
2916-76-9
SMILES
COC(=O)C[Si](C)(C)C
InChI Key
JIHUZDFFYVRXKP-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3
Names and Synonyms
- Acetic Acid, 2-(Trimethylsilyl)-, Methyl Ester Synonym
- Acetic acid, 2-(trimethylsilyl)-, methyl ester Synonym
- Acetic acid, (trimethylsilyl)-, methyl ester Synonym
- Methyl trimethylsilylacetate Synonym
- NSC 601813 Synonym
- Methyl 2-(trimethylsilyl)acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.26 g/mol | CAS Common Chemistry |
| 146.262 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.890 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC)C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JIHUZDFFYVRXKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acetic acid, 2-(trimethylsilyl)-, methyl ester | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.4975999999999998 | RDKit |
| 1.4976 | RDKit | |
| Molar Refractivity | 40.16900000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 146.076306218 g/mol | RDKit |
| Boiling Point | 62-64 °C @ 50 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 146.26 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O2Si.
