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Octadecyltriethoxysilane
CAS: 7399-00-0 | C24H52O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7399-00-0
Molecular Formula:
C24H52O3Si
Molecular Mass:
416.76 g/mol
Names and Synonyms:
Octadecyltriethoxysilane
Silane, triethoxyoctadecyl-
Triethoxyoctadecylsilane
Octadecyltriethoxysilane
P 09775
ODES
Stearyltriethoxysilane
LS 6970
Si 118
n-Octadecyltriethoxysilane
SIO 6645.0
S 12325
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C24H52O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4/h5-24H2,1-4H3
Key Properties
Boiling Point
165-169 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
10-12 °C
CAS Common Chemistry
Density
0.87 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 | 416.76 g/mol | CAS Common Chemistry |
| 416.76300000000015 g/mol | RDKit | |
| 416.3685720539999 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.870 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 165-169 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H52O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4/h5-24H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FZMJEGJVKFTGMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10-12 °C | CAS Common Chemistry |
| Name | Octadecyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 23 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 8.296300000000008 | RDKit |
| Molar Refractivity | 124.98500000000011 | RDKit |
