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Cyclohexyltrimethoxysilane
CAS: 17865-54-2 | C9H20O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17865-54-2
Molecular Formula:
C9H20O3Si
Molecular Mass:
204.34 g/mol
Names and Synonyms:
Cyclohexyltrimethoxysilane
Cyclohexane, (trimethoxysilyl)-
Silane, cyclohexyltrimethoxy-
(Trimethoxysilyl)cyclohexane
Cyclohexyltrimethoxysilane
C 2280
Identifiers:
SMILES:
CO[Si](OC)(OC)C1CCCCC1
InChI:
InChI=1S/C9H20O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
Key Properties
Boiling Point
207-209 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.34 g/mol | CAS Common Chemistry |
| 204.34199999999993 g/mol | RDKit | |
| 204.11817102999998 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 |
| Molar Refractivity | 53.61600000000004 | RDKit |
