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Molecule
Hexyltrimethoxysilane
CAS: 3069-19-0 · C9H22O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3069-19-0
- Molecular Formula
- C9H22O3Si
- Molecular Mass
- 206.36 g/mol
Identifiers
CAS Registry Number
3069-19-0
SMILES
CCCCCC[Si](OC)(OC)OC
InChI Key
CZWLNMOIEMTDJY-UHFFFAOYSA-N
InChI
InChI=1S/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3
Names and Synonyms
- Hexyltrimethoxysilane Synonym
- Z 6582 Synonym
- LS 3130 Synonym
- AZ 6177 Synonym
- KBM 3060 Synonym
- Silane, hexyltrimethoxy- Synonym
- Hexyltrimethoxysilane Synonym
- n-Hexyltrimethoxysilane Synonym
- H 7334 Synonym
- TSL 8241 Synonym
- HTS-M Synonym
- KBM 3063 Synonym
- AY 43-206M Synonym
- XC 98A9426 Synonym
- Trimethoxyhexylsilane Synonym
- KBM 3036 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.36 g/mol | CAS Common Chemistry |
| 206.35799999999998 g/mol | RDKit | |
| 206.358 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.911 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 202-203 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CZWLNMOIEMTDJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.4448000000000008 | RDKit |
| 2.4448 | RDKit | |
| Molar Refractivity | 55.73000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 206.13382109399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
External Resources
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Quick conversion
MW = 206.36 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H22O3Si.
