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Molecule
2-(Trimethylsilyl)Ethanol
CAS: 2916-68-9 · C5H14OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2916-68-9
- Molecular Formula
- C5H14OSi
- Molecular Mass
- 118.25 g/mol
Identifiers
CAS Registry Number
2916-68-9
SMILES
C[Si](C)(C)CCO
InChI Key
ZNGINKJHQQQORD-UHFFFAOYSA-N
InChI
InChI=1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3
Names and Synonyms
- 2-(Trimethylsilyl)Ethanol Synonym
- Ethanol, 2-(trimethylsilyl)- Synonym
- 2-(Trimethylsilyl)ethanol Synonym
- β-(Trimethylsilyl)ethanol Synonym
- 2-(Trimethylsilyl)ethyl alcohol Synonym
- (2-Hydroxyethyl)trimethylsilane Synonym
- NSC 96784 Synonym
- 2-(Trimethylsilanyl)ethanol Synonym
- 2-(Trimethylsilyl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.25 g/mol | CAS Common Chemistry |
| 118.25199999999998 g/mol | RDKit | |
| 118.252 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.945 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OCC[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNGINKJHQQQORD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Trimethylsilyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.3169 | RDKit |
| Molar Refractivity | 35.23879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 118.081391598 g/mol | RDKit |
| Boiling Point | 53-55 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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 = 118.25 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H14OSi.
