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Molecule
Dichlorohexylmethylsilane
CAS: 14799-94-1 · C7H16Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14799-94-1
- Molecular Formula
- C7H16Cl2Si
- Molecular Mass
- 199.20 g/mol
Identifiers
CAS Registry Number
14799-94-1
SMILES
CCCCCC[Si](C)(Cl)Cl
InChI Key
KKRMHVJQWMXYBZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16Cl2Si/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3
Names and Synonyms
- Dichlorohexylmethylsilane Common Name
- Silane, dichlorohexylmethyl- Synonym
- Dichlorohexylmethylsilane Synonym
- Hexylmethyldichlorosilane Synonym
- 2,2-Dichloro-2-silaoctane Synonym
- n-Hexyldichloromethylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.20 g/mol | CAS Common Chemistry |
| 199.197 g/mol | RDKit | |
| 199.191 g/mol | chempirical lib | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.993 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 204-206 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(C)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16Cl2Si/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KKRMHVJQWMXYBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dichlorohexylmethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.116300000000003 | RDKit |
| 4.1163 | RDKit | |
| 4.36 | chempirical lib | |
| Molar Refractivity | 52.27300000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 198.039832402 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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Quick conversion
MW = 199.20 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
