Back to Search
Molecule
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
Identifiers
CAS Registry Number
7399-00-0
SMILES
CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChI Key
FZMJEGJVKFTGMU-UHFFFAOYSA-N
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
Names and Synonyms
- Octadecyltriethoxysilane Synonym
- Silane, triethoxyoctadecyl- Synonym
- Triethoxyoctadecylsilane Synonym
- Octadecyltriethoxysilane Synonym
- P 09775 Synonym
- ODES Synonym
- Stearyltriethoxysilane Synonym
- LS 6970 Synonym
- Si 118 Synonym
- n-Octadecyltriethoxysilane Synonym
- SIO 6645.0 Synonym
- S 12325 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 416.76 g/mol | CAS Common Chemistry |
| 416.76300000000015 g/mol | RDKit | |
| 416.763 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.870 g/cm3 | 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 |
| 8.2963 | RDKit | |
| 8.99 | chempirical lib | |
| Molar Refractivity | 124.98500000000011 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 416.3685720539999 g/mol | RDKit |
| Boiling Point | 165-169 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 416.76 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
