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Molecule
Chlorotrihexylsilane
CAS: 3634-67-1 · C18H39ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3634-67-1
- Molecular Formula
- C18H39ClSi
- Molecular Mass
- 319.05 g/mol
Identifiers
CAS Registry Number
3634-67-1
SMILES
CCCCCC[Si](Cl)(CCCCCC)CCCCCC
InChI Key
WZQSBCHNVPAYOC-UHFFFAOYSA-N
InChI
InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
Names and Synonyms
- Chlorotrihexylsilane Common Name
- Silane, chlorotrihexyl- Synonym
- Chlorotrihexylsilane Synonym
- Trihexylchlorosilane Synonym
- Trihexylsilyl chloride Synonym
- Tri-n-hexylsilyl chloride Synonym
- NSC 139855 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 319.05 g/mol | CAS Common Chemistry |
| 319.0490000000001 g/mol | RDKit | |
| 319.049 g/mol | RDKit | |
| 319.046 g/mol | chempirical lib | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.871 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si](CCCCCC)(CCCCCC)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WZQSBCHNVPAYOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorotrihexylsilane | 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 | 7.911600000000007 | RDKit |
| 7.9116 | RDKit | |
| 8.08 | chempirical lib | |
| Molar Refractivity | 98.45400000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 318.250955458 g/mol | RDKit |
| Boiling Point | 154-155 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 319.05 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
