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Molecule
Hexadecyltriethoxysilane
CAS: 16415-13-7 · C22H48O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16415-13-7
- Molecular Formula
- C22H48O3Si
- Molecular Mass
- 388.71 g/mol
Identifiers
CAS Registry Number
16415-13-7
SMILES
CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChI Key
OYGYKEULCAINCL-UHFFFAOYSA-N
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
Names and Synonyms
- Hexadecyltriethoxysilane Common Name
- Silane, triethoxyhexadecyl- Synonym
- Triethoxyhexadecylsilane Synonym
- Hexadecyltriethoxysilane Synonym
- Cetyltriethoxysilane Synonym
- Triethoxy-n-hexadecylsilane Synonym
- VP-Si 216 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 388.71 g/mol | CAS Common Chemistry |
| 388.7090000000002 g/mol | RDKit | |
| 388.709 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.888 g/cm3 | 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 |
| 7.5161 | RDKit | |
| 8.21 | chempirical lib | |
| Molar Refractivity | 115.7510000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 388.33727192599997 g/mol | RDKit |
| Boiling Point | 160-161 °C @ 1 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 |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 388.71 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
