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Molecule
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
Identifiers
CAS Registry Number
6651-36-1
SMILES
C[Si](C)(C)OC1=CCCCC1
InChI Key
SBEMOANGDSSPJY-UHFFFAOYSA-N
InChI
InChI=1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
Names and Synonyms
- 1-(Trimethylsiloxy)Cyclohexene Synonym
- Cyclohexene, 1-[(trimethylsilyl)oxy]- Synonym
- Silane, (1-cyclohexen-1-yloxy)trimethyl- Synonym
- 1-[(Trimethylsilyl)oxy]cyclohexene Synonym
- 1-(Trimethylsilyloxy)cyclohexene Synonym
- 1-(Trimethylsiloxy)-1-cyclohexene Synonym
- α-(Trimethylsiloxy)cyclohexene Synonym
- 1-(Trimethylsiloxy)cyclohexene Synonym
- (1-Cyclohexen-1-yloxy)trimethylsilane Synonym
- (Cyclohex-1-enyloxy)trimethylsilane Synonym
- 1-Cyclohexenol trimethylsilyl ether Synonym
- Cyclohexanone enol trimethylsilyl ether Synonym
- 1-(Trimethylsilyloxy)-1-cyclohexene Synonym
- 1-Cyclohexenyl trimethylsilyl ether Synonym
- Cyclohexanone trimethylsilyl enol ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.33 g/mol | CAS Common Chemistry |
| 170.32799999999992 g/mol | RDKit | |
| 170.328 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.885 g/cm3 | 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 |
| 3.2958 | RDKit | |
| 3.11 | chempirical lib | |
| Molar Refractivity | 50.982000000000035 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 170.11269172599998 g/mol | RDKit |
| Boiling Point | 67-68 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 170.33 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
