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1,3-Diethenyl-1,3-Dimethyl-1,3-Diphenyldisiloxane
CAS: 2627-97-6 | C18H22OSi2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2627-97-6
Molecular Formula:
C18H22OSi2
Molecular Mass:
310.55 g/mol
Names and Synonyms:
1,3-Diethenyl-1,3-Dimethyl-1,3-Diphenyldisiloxane
Disiloxane, 1,3-diethenyl-1,3-dimethyl-1,3-diphenyl-
Disiloxane, 1,3-dimethyl-1,3-diphenyl-1,3-divinyl-
1,3-Diethenyl-1,3-dimethyl-1,3-diphenyldisiloxane
1,3-Divinyl-1,3-diphenyl-1,3-dimethyldisiloxane
1,3-Divinyl-1,3-diphenyldimethyldisiloxane
1,3-Dimethyl-1,3-diphenyl-1,3-divinyldisiloxane
Identifiers:
SMILES:
C=C[Si](C)(O[Si](C)(C=C)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H22OSi2/c1-5-20(3,17-13-9-7-10-14-17)19-21(4,6-2)18-15-11-8-12-16-18/h5-16H,1-2H2,3-4H3
Key Properties
Boiling Point
160 °C @ Press: 6 Torr
CAS Common Chemistry
Density
1.00 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
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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 | 310.55 g/mol | CAS Common Chemistry |
| 310.545 g/mol | RDKit | |
| 310.120918384 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.995 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 160 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O([Si](C=C)(C=1C=CC=CC1)C)[Si](C=C)(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H22OSi2/c1-5-20(3,17-13-9-7-10-14-17)19-21(4,6-2)18-15-11-8-12-16-18/h5-16H,1-2H2,3-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KPWVUBSQUODFPP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Diethenyl-1,3-dimethyl-1,3-diphenyldisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.418400000000002 | RDKit |
| Molar Refractivity | 96.86700000000005 | RDKit |
