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Molecule
Octadecyltrimethoxysilane
CAS: 3069-42-9 · C21H46O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3069-42-9
- Molecular Formula
- C21H46O3Si
- Molecular Mass
- 374.68 g/mol
Identifiers
CAS Registry Number
3069-42-9
SMILES
CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChI Key
SLYCYWCVSGPDFR-UHFFFAOYSA-N
InChI
InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3
Names and Synonyms
- Octadecyltrimethoxysilane Synonym
- Silane, trimethoxyoctadecyl- Synonym
- Trimethoxyoctadecylsilane Synonym
- Stearyltrimethoxysilane Synonym
- Octadecyltrimethoxysilane Synonym
- LSX 6817 Synonym
- TSL 8185 Synonym
- n-Octadecyltrimethoxysilane Synonym
- TSL 8186 Synonym
- M 1 Synonym
- M 1 (silane) Synonym
- AY 43-218MC Synonym
- Dynasylan 9118 Synonym
- O 0256 Synonym
- KH 311 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.68 g/mol | CAS Common Chemistry |
| 374.682 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.885 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octadecyltrimethoxysilane | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SLYCYWCVSGPDFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13-17 °C | CAS Common Chemistry |
| Name | Octadecyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 7.126000000000007 | RDKit |
| 7.126 | RDKit | |
| 7.82 | chempirical lib | |
| Molar Refractivity | 111.1340000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 374.3216218619999 g/mol | RDKit |
| Boiling Point | 170 °C @ 0.1 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 = 374.68 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
