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Octadecylmethyldichlorosilane
CAS: 5157-75-5 | C19H40Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5157-75-5
Molecular Formula:
C19H40Cl2Si
Molecular Mass:
367.52 g/mol
Names and Synonyms:
Octadecylmethyldichlorosilane
Silane, dichloromethyloctadecyl-
Dichloromethyloctadecylsilane
Stearylmethyldichlorosilane
Methyloctadecyldichlorosilane
Octadecyldichloromethylsilane
Octadecylmethyldichlorosilane
NSC 96645
Dichloromethylstearylsilane
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl
InChI:
InChI=1S/C19H40Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,20)21/h3-19H2,1-2H3
Key Properties
Boiling Point
185 °C @ Press: 2.5 Torr
CAS Common Chemistry
Melting Point
24-26 °C
CAS Common Chemistry
Density
0.93 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 | 367.52 g/mol | CAS Common Chemistry |
| 367.52099999999984 g/mol | RDKit | |
| 366.22763317 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.930 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 185 °C @ Press: 2.5 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(C)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H40Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,20)21/h3-19H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GYWBHBXGYTYXRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24-26 °C | CAS Common Chemistry |
| Name | Octadecylmethyldichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 8.797500000000001 | RDKit |
| Molar Refractivity | 107.67700000000008 | RDKit |
