Back to Search
4-(Trichlorosilyl)Cyclohexene
CAS: 10137-69-6 | C6H9Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10137-69-6
Molecular Formula:
C6H9Cl3Si
Molecular Mass:
215.58 g/mol
Names and Synonyms:
4-(Trichlorosilyl)Cyclohexene
Cyclohexene, 4-(trichlorosilyl)-
Silane, trichloro-3-cyclohexen-1-yl-
4-(Trichlorosilyl)cyclohexene
3-Cyclohexenyltrichlorosilane
1-(Trichlorosilyl)-3-cyclohexene
Trichloro-3-cyclohexen-1-ylsilane
Identifiers:
SMILES:
Cl[Si](Cl)(Cl)C1CC=CCC1
InChI:
InChI=1S/C6H9Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2
Key Properties
Boiling Point
87-88 °C @ Press: 16 Torr
CAS Common Chemistry
Density
1.25 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 | 215.58 g/mol | CAS Common Chemistry |
| 215.58299999999997 g/mol | RDKit | |
| 213.953909858 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.250 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 87-88 °C @ Press: 16 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)C1CC=CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H9Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TTYRJPILQGWBOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Trichlorosilyl)cyclohexene | 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 | 3.7520000000000016 | RDKit |
| Molar Refractivity | 50.05400000000002 | RDKit |
