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Hexyltriethoxysilane
CAS: 18166-37-5 | C12H28O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18166-37-5
Molecular Formula:
C12H28O3Si
Molecular Mass:
248.44 g/mol
Names and Synonyms:
Hexyltriethoxysilane
Silane, triethoxyhexyl-
Triethoxyhexylsilane
Hexyltriethoxysilane
HTS-E
Sila-Ace HTS-E
Epokuriito SA
AZ 6171
KBE 3063
KBG 3063
LS 4808
Z 6586
n-Hexyltriethoxysilane
Identifiers:
SMILES:
CCCCCC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
Key Properties
Boiling Point
115 °C @ Press: 18 Torr
CAS Common Chemistry
Density
0.86 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.44 g/mol | CAS Common Chemistry |
| 248.43899999999994 g/mol | RDKit | |
| 248.18077128599998 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.86 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 115 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WUMSTCDLAYQDNO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.6151000000000026 | RDKit |
| Molar Refractivity | 69.58100000000006 | RDKit |
