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2-[(3R,5R)-3,5-Bis[[(1,1-Dimethylethyl)Dimethylsilyl]Oxy]Cyclohexylidene]Ethanol
CAS: 139356-37-9 | C20H42O3Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139356-37-9
Molecular Formula:
C20H42O3Si2
Molecular Mass:
386.73 g/mol
Names and Synonyms:
2-[(3R,5R)-3,5-Bis[[(1,1-Dimethylethyl)Dimethylsilyl]Oxy]Cyclohexylidene]Ethanol
Ethanol, 2-[(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-
Ethanol, 2-[3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]-, (3R-trans)-
2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol
Identifiers:
SMILES:
CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChI:
InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3/t17-,18-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 386.73 g/mol | CAS Common Chemistry |
| 386.7250000000002 g/mol | RDKit | |
| 386.267248264 g/mol | RDKit | |
| Canonical SMILES | OCC=C1CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3/t17-,18-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YDSSQNPZARKZPC-QZTJIDSGSA-N | CAS Common Chemistry |
| Name | 2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 5.869800000000007 | RDKit |
| Molar Refractivity | 113.15980000000008 | RDKit |
