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Dichloromethyloctylsilane
CAS: 14799-93-0 | C9H20Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14799-93-0
Molecular Formula:
C9H20Cl2Si
Molecular Mass:
227.25 g/mol
Names and Synonyms:
Dichloromethyloctylsilane
Silane, dichloromethyloctyl-
Dichloromethyloctylsilane
(Dichloromethylsilyl)octane
Methyl(octyl)dichlorosilane
Identifiers:
SMILES:
CCCCCCCC[Si](C)(Cl)Cl
InChI:
InChI=1S/C9H20Cl2Si/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3
Key Properties
Boiling Point
100-116 °C @ Press: 20 Torr
CAS Common Chemistry
Density
0.98 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 | 227.25 g/mol | CAS Common Chemistry |
| 227.251 g/mol | RDKit | |
| 226.07113253 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.984 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 100-116 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(C)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20Cl2Si/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QHBMMABVNRSRHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dichloromethyloctylsilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.896500000000004 | RDKit |
| Molar Refractivity | 61.50700000000005 | RDKit |
