Back to Search
Molecule
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
Identifiers
CAS Registry Number
2627-97-6
SMILES
C=C[Si](C)(O[Si](C)(C=C)c1ccccc1)c1ccccc1
InChI Key
KPWVUBSQUODFPP-UHFFFAOYSA-N
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
Names and Synonyms
- 1,3-Diethenyl-1,3-Dimethyl-1,3-Diphenyldisiloxane Synonym
- Disiloxane, 1,3-diethenyl-1,3-dimethyl-1,3-diphenyl- Synonym
- Disiloxane, 1,3-dimethyl-1,3-diphenyl-1,3-divinyl- Synonym
- 1,3-Diethenyl-1,3-dimethyl-1,3-diphenyldisiloxane Synonym
- 1,3-Divinyl-1,3-diphenyl-1,3-dimethyldisiloxane Synonym
- 1,3-Divinyl-1,3-diphenyldimethyldisiloxane Synonym
- 1,3-Dimethyl-1,3-diphenyl-1,3-divinyldisiloxane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.55 g/mol | CAS Common Chemistry |
| 310.545 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.995 g/cm3 @ 25 °C | 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 |
| 3.4184 | RDKit | |
| Molar Refractivity | 96.86700000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 310.120918384 g/mol | RDKit |
| Boiling Point | 160 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 310.55 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
