2-hydroxy-3-(trimethylsilyl)benzaldehyde

• ChemBase ID: 804272
• Molecular Formular: C10H14O2Si
• Molecular Mass: 194.30246
• Monoisotopic Mass: 194.07630622
• SMILES: c1(c(c(ccc1)[Si](C)(C)C)O)C=O
• Canonical SMILES: O=Cc1cccc(c1O)[Si](C)(C)C
• InChI: InChI=1S/C10H14O2Si/c1-13(2,3)9-6-4-5-8(7-11)10(9)12/h4-7,12H,1-3H3
• InChIKey: DQBGYBLKBKKGOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-(trimethylsilyl)benzaldehyde
• IUPAC Traditional name: 2-hydroxy-3-(trimethylsilyl)benzaldehyde
• Synonyms: 2-HYDROXY-3-(TRIMETHYLSILYL)BENZALDEHYDE

Database IDs

• CAS Number: 444095-29-8

CALCULATED PROPERTIES

• Acid pKa: 8.412432
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6717703
• LogD (pH = 7.4): 3.632133
• Log P: 3.6723
• Molar Refractivity: 50.6865 cm^3
• Polarizability: 21.283352 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%