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Molecule
Cyclohexyltrimethoxysilane
CAS: 17865-54-2 · C9H20O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17865-54-2
- Molecular Formula
- C9H20O3Si
- Molecular Mass
- 204.34 g/mol
Identifiers
CAS Registry Number
17865-54-2
SMILES
CO[Si](OC)(OC)C1CCCCC1
InChI Key
MEWFSXFFGFDHGV-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
Names and Synonyms
- Cyclohexyltrimethoxysilane Synonym
- Cyclohexane, (trimethoxysilyl)- Synonym
- Silane, cyclohexyltrimethoxy- Synonym
- (Trimethoxysilyl)cyclohexane Synonym
- Cyclohexyltrimethoxysilane Synonym
- C 2280 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.34 g/mol | CAS Common Chemistry |
| 204.34199999999993 g/mol | RDKit | |
| 204.342 g/mol | RDKit | |
| Boiling Point | 207-209 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MEWFSXFFGFDHGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclohexyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.1988000000000003 | RDKit |
| 2.1988 | RDKit | |
| Molar Refractivity | 53.61600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 204.11817102999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 204.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H20O3Si.
