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Molecule
Trimethylsilyl Acetate
CAS: 2754-27-0 · C5H12O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2754-27-0
- Molecular Formula
- C5H12O2Si
- Molecular Mass
- 132.23 g/mol
Identifiers
CAS Registry Number
2754-27-0
SMILES
CC(=O)O[Si](C)(C)C
InChI Key
QHUNJMXHQHHWQP-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2Si/c1-5(6)7-8(2,3)4/h1-4H3
Names and Synonyms
- Trimethylsilyl Acetate Common Name
- Silanol, 1,1,1-trimethyl-, 1-acetate Synonym
- Silanol, trimethyl-, acetate Synonym
- Trimethylacetoxysilane Synonym
- Acetoxytrimethylsilane Synonym
- Trimethylsilyl acetate Synonym
- (Acetato)trimethylsilane Synonym
- Acetyloxytrimethylsilane Synonym
- NSC 96780 Synonym
- Trimethyl-1-acetoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.23 g/mol | CAS Common Chemistry |
| 132.23499999999999 g/mol | RDKit | |
| 132.235 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.891 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 103-104 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Si](C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O2Si/c1-5(6)7-8(2,3)4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QHUNJMXHQHHWQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -32 °C | CAS Common Chemistry |
| Name | Trimethylsilyl acetate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.3844 | RDKit |
| Molar Refractivity | 35.111999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 132.06065615400001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 132.23 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O2Si.
