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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
Names and Synonyms:
Dichlorohexylmethylsilane
Silane, dichlorohexylmethyl-
Dichlorohexylmethylsilane
Hexylmethyldichlorosilane
2,2-Dichloro-2-silaoctane
n-Hexyldichloromethylsilane
Identifiers:
SMILES:
CCCCCC[Si](C)(Cl)Cl
InChI:
InChI=1S/C7H16Cl2Si/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3
Key Properties
Boiling Point
204-206 °C
CAS Common Chemistry
Density
0.99 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 | 199.20 g/mol | CAS Common Chemistry |
| 199.197 g/mol | RDKit | |
| 198.039832402 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 52.27300000000004 | RDKit |
