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Molecule
Phenyltris(Dimethylsiloxy)Silane
CAS: 18027-45-7 · C12H26O3Si4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18027-45-7
- Molecular Formula
- C12H26O3Si4
- Molecular Mass
- 330.68 g/mol
Identifiers
CAS Registry Number
18027-45-7
SMILES
C[SiH](C)O[Si](O[SiH](C)C)(O[SiH](C)C)c1ccccc1
InChI Key
CQZDNELEZXTFEH-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O3Si4/c1-16(2)13-19(14-17(3)4,15-18(5)6)12-10-8-7-9-11-12/h7-11,16-18H,1-6H3
Names and Synonyms
- Phenyltris(Dimethylsiloxy)Silane Synonym
- Trisiloxane, 3-[(dimethylsilyl)oxy]-1,1,5,5-tetramethyl-3-phenyl- Synonym
- Trisiloxane, 3-(dimethylsiloxy)-1,1,5,5-tetramethyl-3-phenyl- Synonym
- 3-[(Dimethylsilyl)oxy]-1,1,5,5-tetramethyl-3-phenyltrisiloxane Synonym
- Phenyltris(dimethylsiloxy)silane Synonym
- Tris(dimethylhydrogensiloxy)phenylsilane Synonym
- Tris(dimethylsiloxy)phenylsilane Synonym
- P 0660 Synonym
- X 93-916 Synonym
- 3-Dimethylsilyloxy-3-phenyl-1,1,5,5-tetramethyltrisiloxane Synonym
- Tris(dimethylsilyloxy)phenylsilane Synonym
- SIP 6826.0 Synonym
- SIP 6826 Synonym
- 3-(Dimethylsilyloxy)-1,1,5,5-tetramethyl-3-phenyltrisiloxane Synonym
- Tri(dimethylsiloxy)phenylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.68 g/mol | CAS Common Chemistry |
| 330.68100000000004 g/mol | RDKit | |
| 330.681 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.942 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O([SiH](C)C)[Si](O[SiH](C)C)(O[SiH](C)C)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O3Si4/c1-16(2)13-19(14-17(3)4,15-18(5)6)12-10-8-7-9-11-12/h7-11,16-18H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CQZDNELEZXTFEH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenyltris(dimethylsiloxy)silane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.8324999999999998 | RDKit |
| 1.8325 | RDKit | |
| Molar Refractivity | 91.71600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 330.09590081199997 g/mol | RDKit |
| Boiling Point | 91 °C @ 2 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
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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.
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MW = 330.68 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
