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Molecule
Hexyltriethoxysilane
CAS: 18166-37-5 · C12H28O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18166-37-5
- Molecular Formula
- C12H28O3Si
- Molecular Mass
- 248.44 g/mol
Identifiers
CAS Registry Number
18166-37-5
SMILES
CCCCCC[Si](OCC)(OCC)OCC
InChI Key
WUMSTCDLAYQDNO-UHFFFAOYSA-N
InChI
InChI=1S/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
Names and Synonyms
- Hexyltriethoxysilane Synonym
- Silane, triethoxyhexyl- Synonym
- Triethoxyhexylsilane Synonym
- Hexyltriethoxysilane Synonym
- HTS-E Synonym
- Sila-Ace HTS-E Synonym
- Epokuriito SA Synonym
- AZ 6171 Synonym
- KBE 3063 Synonym
- KBG 3063 Synonym
- LS 4808 Synonym
- Z 6586 Synonym
- n-Hexyltriethoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.44 g/mol | CAS Common Chemistry |
| 248.43899999999994 g/mol | RDKit | |
| 248.439 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.86 g/cm3 | 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 |
| 3.6151 | RDKit | |
| Molar Refractivity | 69.58100000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 248.18077128599998 g/mol | RDKit |
| Boiling Point | 115 °C @ 18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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
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Quick conversion
MW = 248.44 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
