5-[3-(trimethylsilyl)phenyl]thiophene-2-carbaldehyde

• ChemBase ID: 811548
• Molecular Formular: C14H16OSSi
• Molecular Mass: 260.42674
• Monoisotopic Mass: 260.06911266
• SMILES: s1c(ccc1c1cc(ccc1)[Si](C)(C)C)C=O
• Canonical SMILES: O=Cc1ccc(s1)c1cccc(c1)[Si](C)(C)C
• InChI: InChI=1S/C14H16OSSi/c1-17(2,3)13-6-4-5-11(9-13)14-8-7-12(10-15)16-14/h4-10H,1-3H3
• InChIKey: JEHOMJASRISOKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(trimethylsilyl)phenyl]thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-[3-(trimethylsilyl)phenyl]thiophene-2-carbaldehyde
• Synonyms: 5-[3-(TRIMETHYLSILYL)PHENYL]THIOPHENE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5597
• LogD (pH = 7.4): 4.5597
• Log P: 4.5597
• Molar Refractivity: 70.5158 cm^3
• Polarizability: 30.323225 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%