triethoxy(1-phenylethenyl)silane

• ChemBase ID: 139617
• Molecular Formular: C14H22O3Si
• Molecular Mass: 266.40818
• Monoisotopic Mass: 266.1338211
• SMILES: CCO[Si](C(=C)c1ccccc1)(OCC)OCC
• Canonical SMILES: CCO[Si](C(=C)c1ccccc1)(OCC)OCC
• InChI: InChI=1S/C14H22O3Si/c1-5-15-18(16-6-2,17-7-3)13(4)14-11-9-8-10-12-14/h8-12H,4-7H2,1-3H3
• InChIKey: DKFGYGJKRWRIPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(1-phenylethenyl)silane
• IUPAC Traditional name: triethoxy(1-phenylethenyl)silane
• Synonyms: Triethoxy(1-phenylethenyl)silane; 三乙氧基(1-苯基乙烯基)硅烷

Database IDs

• CAS Number: 90260-87-0
• MDL Number: MFCD05664337
• PubChem SID: 24881626; 162233865
• PubChem CID: 11196400

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1576
• LogD (pH = 7.4): 3.1576
• Log P: 3.1576
• Molar Refractivity: 70.4585 cm^3
• Polarizability: 29.895227 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 264-265 °C(lit.)
• Flash Point: 194 °F; 90 °C
• Density: 0.975 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4800(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: (C2H5O)3SiC(CH2)C6H5

DETAILS

Sigma Aldrich - 596353

Application
A silicon-based nucleophile shown to be reactive in Pd-catalyzed cross-coupling reactions.1
Packaging
1 g in glass bottle