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Molecule
Octadecyldimethylmethoxysilane
CAS: 71808-65-6 · C21H46OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 71808-65-6
- Molecular Formula
- C21H46OSi
- Molecular Mass
- 342.68 g/mol
Identifiers
CAS Registry Number
71808-65-6
SMILES
CCCCCCCCCCCCCCCCCC[Si](C)(C)OC
InChI Key
RUFRLNPHRPYBLF-UHFFFAOYSA-N
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
Names and Synonyms
- Octadecyldimethylmethoxysilane Synonym
- Silane, methoxydimethyloctadecyl- Synonym
- Methoxydimethyloctadecylsilane Synonym
- Dimethyl(octadecyl)methoxysilane Synonym
- Octadecyldimethylmethoxysilane Synonym
- Dimethyl(methoxy)octadecylsilane Synonym
- n-Octadecyldimethylmethoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.68 g/mol | CAS Common Chemistry |
| 342.68399999999997 g/mol | RDKit | |
| 342.684 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.830 g/cm3 @ 25 °C | 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 |
| 8.0994 | RDKit | |
| 8.39 | chempirical lib | |
| Molar Refractivity | 108.8440000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 342.33179262199997 g/mol | RDKit |
| Boiling Point | 184-186 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 342.68 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
