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(Dichloromethylsilyl)Cyclohexane
CAS: 5578-42-7 | C7H14Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5578-42-7
Molecular Formula:
C7H14Cl2Si
Molecular Mass:
197.18 g/mol
Names and Synonyms:
(Dichloromethylsilyl)Cyclohexane
Cyclohexane, (dichloromethylsilyl)-
Silane, dichlorocyclohexylmethyl-
(Dichloromethylsilyl)cyclohexane
Methylcyclohexyldichlorosilane
Cyclohexylmethyldichlorosilane
Dichloro(cyclohexyl)(methyl)silane
Identifiers:
SMILES:
C[Si](Cl)(Cl)C1CCCCC1
InChI:
InChI=1S/C7H14Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
Key Properties
Boiling Point
83 °C @ Press: 15 Torr
CAS Common Chemistry
Density
1.10 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 | 197.18 g/mol | CAS Common Chemistry |
| 197.18099999999993 g/mol | RDKit | |
| 196.024182338 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.095 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 83 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(C)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YUYHCACQLHNZLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Dichloromethylsilyl)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 | 3.870300000000002 | RDKit |
| Molar Refractivity | 50.159000000000034 | RDKit |
