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Molecule
(Dichloromethylsilyl)Cyclohexane
CAS: 5578-42-7 · C7H14Cl2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5578-42-7
- Molecular Formula
- C7H14Cl2Si
- Molecular Mass
- 197.18 g/mol
Identifiers
CAS Registry Number
5578-42-7
SMILES
C[Si](Cl)(Cl)C1CCCCC1
InChI Key
YUYHCACQLHNZLS-UHFFFAOYSA-N
InChI
InChI=1S/C7H14Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
Names and Synonyms
- (Dichloromethylsilyl)Cyclohexane Synonym
- Cyclohexane, (dichloromethylsilyl)- Synonym
- Silane, dichlorocyclohexylmethyl- Synonym
- (Dichloromethylsilyl)cyclohexane Synonym
- Methylcyclohexyldichlorosilane Synonym
- Cyclohexylmethyldichlorosilane Synonym
- Dichloro(cyclohexyl)(methyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.18 g/mol | CAS Common Chemistry |
| 197.18099999999993 g/mol | RDKit | |
| 197.181 g/mol | RDKit | |
| 197.175 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.095 g/cm3 | 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 |
| 3.8703 | RDKit | |
| 4.11 | chempirical lib | |
| Molar Refractivity | 50.159000000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 196.024182338 g/mol | RDKit |
| Boiling Point | 83 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 197.18 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
