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Molecule
Trichlorohexadecylsilane
CAS: 5894-60-0 · C16H33Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5894-60-0
- Molecular Formula
- C16H33Cl3Si
- Molecular Mass
- 359.88 g/mol
Identifiers
CAS Registry Number
5894-60-0
SMILES
CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChI Key
RYPYGDUZKOPBEL-UHFFFAOYSA-N
InChI
InChI=1S/C16H33Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
Names and Synonyms
- Trichlorohexadecylsilane Common Name
- Silane, trichlorohexadecyl- Synonym
- Trichlorohexadecylsilane Synonym
- Hexadecyltrichlorosilane Synonym
- Cetyltrichlorosilane Synonym
- NSC 22328 Synonym
- Dynasylan 9016 Synonym
- HC 16 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 359.88 g/mol | CAS Common Chemistry |
| 359.8849999999999 g/mol | RDKit | |
| 359.885 g/mol | RDKit | |
| 359.876 g/mol | chempirical lib | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.996 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 269 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H33Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RYPYGDUZKOPBEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichlorohexadecylsilane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 8.123000000000005 | RDKit |
| 8.123 | RDKit | |
| 8.43 | chempirical lib | |
| Molar Refractivity | 98.43200000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 358.141710626 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
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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
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MW = 359.88 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
