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Molecule
Octyltrimethoxysilane
CAS: 3069-40-7 · C11H26O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3069-40-7
- Molecular Formula
- C11H26O3Si
- Molecular Mass
- 234.41 g/mol
Identifiers
CAS Registry Number
3069-40-7
SMILES
CCCCCCCC[Si](OC)(OC)OC
InChI Key
NMEPHPOFYLLFTK-UHFFFAOYSA-N
InChI
InChI=1S/C11H26O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5-11H2,1-4H3
Names and Synonyms
- Octyltrimethoxysilane Synonym
- Silane, trimethoxyoctyl- Synonym
- Trimethoxyoctylsilane Synonym
- Octyltrimethoxysilane Synonym
- XC 95-738 Synonym
- n-Octyltrimethoxysilane Synonym
- Silan 108 Synonym
- Dynasylan OCTMO Synonym
- KBM 3083 Synonym
- Si 108 Synonym
- JH-N 318 Synonym
- Sil-Act ATS 100LV Synonym
- Sil-Act ATS 42NS Synonym
- Sil-Act ATS 42A Synonym
- Sil-Act ATS 22 Synonym
- CG-N 813 Synonym
- SIO 6715.5 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.41 g/mol | CAS Common Chemistry |
| 234.41199999999998 g/mol | RDKit | |
| 234.412 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.907 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 191-192 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H26O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5-11H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NMEPHPOFYLLFTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.2250000000000014 | RDKit |
| 3.225 | RDKit | |
| Molar Refractivity | 64.96400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 234.16512122199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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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Quick conversion
MW = 234.41 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H26O3Si.
