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(Trichlorosilyl)Cyclohexane
CAS: 98-12-4 | C6H11Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98-12-4
Molecular Formula:
C6H11Cl3Si
Molecular Mass:
217.60 g/mol
Names and Synonyms:
(Trichlorosilyl)Cyclohexane
Cyclohexane, (trichlorosilyl)-
Silane, trichlorocyclohexyl-
(Trichlorosilyl)cyclohexane
Trichlorocyclohexylsilane
Cyclohexyltrichlorosilane
Identifiers:
SMILES:
Cl[Si](Cl)(Cl)C1CCCCC1
InChI:
InChI=1S/C6H11Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2
Key Properties
Boiling Point
90-91 °C @ Press: 10 Torr
CAS Common Chemistry
Density
1.22 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.60 g/mol | CAS Common Chemistry |
| 217.59899999999993 g/mol | RDKit | |
| 215.969559922 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.222 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 90-91 °C @ Press: 10 Torr | 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 |
| Molar Refractivity | 50.148000000000025 | RDKit |
