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1,1,5,5-Tetramethyl-3,3-Diphenyltrisiloxane
CAS: 17875-55-7 | C16H24O2Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17875-55-7
Molecular Formula:
C16H24O2Si3
Molecular Mass:
332.62 g/mol
Names and Synonyms:
1,1,5,5-Tetramethyl-3,3-Diphenyltrisiloxane
Trisiloxane, 1,1,5,5-tetramethyl-3,3-diphenyl-
1,1,5,5-Tetramethyl-3,3-diphenyltrisiloxane
Bis(dimethylsiloxy)diphenylsilane
3,3-Diphenyl-1,1,5,5-tetramethyltrisiloxane
3,3-Diphenyltetramethyltrisiloxane
PF 8801
Identifiers:
SMILES:
C[SiH](C)O[Si](O[SiH](C)C)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H24O2Si3/c1-19(2)17-21(18-20(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,19-20H,1-4H3
Key Properties
Boiling Point
137 °C @ Press: 2.8 Torr
CAS Common Chemistry
Density
0.99 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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5
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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 |
|---|
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 | 332.62 g/mol | CAS Common Chemistry |
| 332.6240000000001 g/mol | RDKit | |
| 332.108409598 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9936 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 137 °C @ Press: 2.8 Torr | CAS Common Chemistry |
| Canonical SMILES | O([SiH](C)C)[Si](O[SiH](C)C)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H24O2Si3/c1-19(2)17-21(18-20(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,19-20H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SBURHUAIGVFSSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,5,5-Tetramethyl-3,3-diphenyltrisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.2430000000000003 | RDKit |
| Molar Refractivity | 97.83000000000004 | RDKit |
