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Molecule
1,1′-(1,6-Hexanediyl)Bis[1,1,1-Trichlorosilane]
CAS: 13083-94-8 · C6H12Cl6Si2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13083-94-8
- Molecular Formula
- C6H12Cl6Si2
- Molecular Mass
- 353.05 g/mol
Identifiers
CAS Registry Number
13083-94-8
SMILES
Cl[Si](Cl)(Cl)CCCCCC[Si](Cl)(Cl)Cl
InChI Key
ICJGKYTXBRDUMV-UHFFFAOYSA-N
InChI
InChI=1S/C6H12Cl6Si2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2
Names and Synonyms
- 1,1′-(1,6-Hexanediyl)Bis[1,1,1-Trichlorosilane] Systematic Name
- Silane, 1,1′-(1,6-hexanediyl)bis[1,1,1-trichloro- Synonym
- 1,8-Disilaoctane, 1,1,1,8,8,8-hexachloro- Synonym
- Silane, 1,6-hexanediylbis[trichloro- Synonym
- 1,1′-(1,6-Hexanediyl)bis[1,1,1-trichlorosilane] Synonym
- 1,6-Bis(trichlorosilyl)hexane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.05 g/mol | CAS Common Chemistry |
| 353.0519999999999 g/mol | RDKit | |
| 353.052 g/mol | RDKit | |
| 353.034 g/mol | chempirical lib | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.327 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C6H12Cl6Si2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ICJGKYTXBRDUMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′-(1,6-Hexanediyl)bis[1,1,1-trichlorosilane] | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.857400000000001 | RDKit |
| 5.8574 | RDKit | |
| Molar Refractivity | 74.70800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 349.860869524 g/mol | RDKit |
| Boiling Point | 148-150 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 353.05 g/mol; density = 1.330 g/mL. Edit any field — others recompute live.
