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Molecule
Ethyl (Trimethylsilyl)Acetate
CAS: 4071-88-9 · C7H16O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4071-88-9
- Molecular Formula
- C7H16O2Si
- Molecular Mass
- 160.29 g/mol
Identifiers
CAS Registry Number
4071-88-9
SMILES
CCOC(=O)C[Si](C)(C)C
InChI Key
QQFBQBDINHJDMN-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O2Si/c1-5-9-7(8)6-10(2,3)4/h5-6H2,1-4H3
Names and Synonyms
- Ethyl (Trimethylsilyl)Acetate Common Name
- Acetic acid, 2-(trimethylsilyl)-, ethyl ester Synonym
- Acetic acid, (trimethylsilyl)-, ethyl ester Synonym
- Ethyl 2-(trimethylsilyl)acetate Synonym
- Ethyl α-(trimethylsilyl)acetate Synonym
- 2-(Trimethylsilyl)acetic acid ethyl ester Synonym
- Ethyl (trimethylsilyl)acetate Synonym
- NSC 108051 Synonym
- NSC 234752 Synonym
- (Trimethylsilyl)acetic acid ethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.29 g/mol | CAS Common Chemistry |
| 160.289 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 160.091956282 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
160
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 160.29 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16O2Si.
