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Octadecyldimethylmethoxysilane
CAS: 71808-65-6 | C21H46OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71808-65-6
Molecular Formula:
C21H46OSi
Molecular Mass:
342.68 g/mol
Names and Synonyms:
Octadecyldimethylmethoxysilane
Silane, methoxydimethyloctadecyl-
Methoxydimethyloctadecylsilane
Dimethyl(octadecyl)methoxysilane
Octadecyldimethylmethoxysilane
Dimethyl(methoxy)octadecylsilane
n-Octadecyldimethylmethoxysilane
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC[Si](C)(C)OC
InChI:
InChI=1S/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3,4)22-2/h5-21H2,1-4H3
Key Properties
Boiling Point
184-186 °C @ Press: 0.2 Torr
CAS Common Chemistry
Density
0.83 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 | 342.68 g/mol | CAS Common Chemistry |
| 342.68399999999997 g/mol | RDKit | |
| 342.33179262199997 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.830 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 184-186 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](C)(C)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3,4)22-2/h5-21H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RUFRLNPHRPYBLF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octadecyldimethylmethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 8.099400000000008 | RDKit |
| Molar Refractivity | 108.8440000000001 | RDKit |
