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Molecule
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
Identifiers
CAS Registry Number
10137-69-6
SMILES
Cl[Si](Cl)(Cl)C1CC=CCC1
InChI Key
TTYRJPILQGWBOQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2
Names and Synonyms
- 4-(Trichlorosilyl)Cyclohexene Synonym
- Cyclohexene, 4-(trichlorosilyl)- Synonym
- Silane, trichloro-3-cyclohexen-1-yl- Synonym
- 4-(Trichlorosilyl)cyclohexene Synonym
- 3-Cyclohexenyltrichlorosilane Synonym
- 1-(Trichlorosilyl)-3-cyclohexene Synonym
- Trichloro-3-cyclohexen-1-ylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.58 g/mol | CAS Common Chemistry |
| 215.58299999999997 g/mol | RDKit | |
| 215.583 g/mol | RDKit | |
| 215.574 g/mol | chempirical lib | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.250 g/cm3 | 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 |
| 3.752 | RDKit | |
| 3.93 | chempirical lib | |
| Molar Refractivity | 50.05400000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 213.953909858 g/mol | RDKit |
| Boiling Point | 87-88 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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MW = 215.58 g/mol; density = 1.250 g/mL. Edit any field — others recompute live.
