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Molecule
(Trichlorosilyl)Cyclohexane
CAS: 98-12-4 · C6H11Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 98-12-4
- Molecular Formula
- C6H11Cl3Si
- Molecular Mass
- 217.60 g/mol
Identifiers
CAS Registry Number
98-12-4
SMILES
Cl[Si](Cl)(Cl)C1CCCCC1
InChI Key
SIPHWXREAZVVNS-UHFFFAOYSA-N
InChI
InChI=1S/C6H11Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2
Names and Synonyms
- (Trichlorosilyl)Cyclohexane Common Name
- Cyclohexane, (trichlorosilyl)- Synonym
- Silane, trichlorocyclohexyl- Synonym
- (Trichlorosilyl)cyclohexane Synonym
- Trichlorocyclohexylsilane Synonym
- Cyclohexyltrichlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.60 g/mol | CAS Common Chemistry |
| 217.59899999999993 g/mol | RDKit | |
| 217.599 g/mol | RDKit | |
| 217.59 g/mol | chempirical lib | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.222 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si](Cl)(Cl)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SIPHWXREAZVVNS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Trichlorosilyl)cyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.9760000000000018 | RDKit |
| 3.976 | RDKit | |
| 4.29 | chempirical lib | |
| Molar Refractivity | 50.148000000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 215.969559922 g/mol | RDKit |
| Boiling Point | 90-91 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
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 = 217.60 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
