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2-(Trimethylsilyl)Ethanol
CAS: 2916-68-9 | C5H14OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2916-68-9
Molecular Formula:
C5H14OSi
Molecular Weight:
118.25199999999998 g/mol
Names and Synonyms:
2-(Trimethylsilyl)Ethanol
Ethanol, 2-(trimethylsilyl)-
2-(Trimethylsilyl)ethanol
β-(Trimethylsilyl)ethanol
2-(Trimethylsilyl)ethyl alcohol
(2-Hydroxyethyl)trimethylsilane
NSC 96784
2-(Trimethylsilanyl)ethanol
2-(Trimethylsilyl)ethan-1-ol
Identifiers:
SMILES:
C[Si](C)(C)CCO
InChI:
InChI=1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.25199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.081391598 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.3169 | RDKit |
| molecular_mass | 118.25 g/mol | Legacy Database |
| density | 0.95 g/cm³ | Legacy Database |
| cas-boiling-point | 53-55 °C @ Press: 11 Torr None | Legacy Database |
| cas-canonical-smile | OCC[Si](C)(C)C None | Legacy Database |
| cas-density | 0.945 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZNGINKJHQQQORD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-(Trimethylsilyl)ethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.23879999999999 | RDKit |
