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Hexadecyltriethoxysilane
CAS: 16415-13-7 | C22H48O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16415-13-7
Molecular Formula:
C22H48O3Si
Molecular Mass:
388.71 g/mol
Names and Synonyms:
Hexadecyltriethoxysilane
Silane, triethoxyhexadecyl-
Triethoxyhexadecylsilane
Hexadecyltriethoxysilane
Cetyltriethoxysilane
Triethoxy-n-hexadecylsilane
VP-Si 216
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C22H48O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23-6-2,24-7-3)25-8-4/h5-22H2,1-4H3
Key Properties
Boiling Point
160-161 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
-9 °C
CAS Common Chemistry
Density
0.89 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 | 388.71 g/mol | CAS Common Chemistry |
| 388.7090000000002 g/mol | RDKit | |
| 388.33727192599997 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.888 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 160-161 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H48O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23-6-2,24-7-3)25-8-4/h5-22H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OYGYKEULCAINCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -9 °C | CAS Common Chemistry |
| Name | Hexadecyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 7.516100000000009 | RDKit |
| Molar Refractivity | 115.7510000000001 | RDKit |
