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1-(Trimethylsiloxy)Cyclohexene
CAS: 6651-36-1 | C9H18OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6651-36-1
Molecular Formula:
C9H18OSi
Molecular Mass:
170.33 g/mol
Names and Synonyms:
1-(Trimethylsiloxy)Cyclohexene
Cyclohexene, 1-[(trimethylsilyl)oxy]-
Silane, (1-cyclohexen-1-yloxy)trimethyl-
1-[(Trimethylsilyl)oxy]cyclohexene
1-(Trimethylsilyloxy)cyclohexene
1-(Trimethylsiloxy)-1-cyclohexene
α-(Trimethylsiloxy)cyclohexene
1-(Trimethylsiloxy)cyclohexene
(1-Cyclohexen-1-yloxy)trimethylsilane
(Cyclohex-1-enyloxy)trimethylsilane
1-Cyclohexenol trimethylsilyl ether
Cyclohexanone enol trimethylsilyl ether
1-(Trimethylsilyloxy)-1-cyclohexene
1-Cyclohexenyl trimethylsilyl ether
Cyclohexanone trimethylsilyl enol ether
Identifiers:
SMILES:
C[Si](C)(C)OC1=CCCCC1
InChI:
InChI=1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
Key Properties
Boiling Point
67-68 °C @ Press: 16 Torr
CAS Common Chemistry
Density
0.89 g/cm³
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 | 170.33 g/mol | CAS Common Chemistry |
| 170.32799999999992 g/mol | RDKit | |
| 170.11269172599998 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.885 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 67-68 °C @ Press: 16 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CCCCC1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SBEMOANGDSSPJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(Trimethylsiloxy)cyclohexene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.2958000000000016 | RDKit |
| Molar Refractivity | 50.982000000000035 | RDKit |
