4-(trimethylsilyl)benzaldehyde

• ChemBase ID: 286809
• Molecular Formular: C10H14OSi
• Molecular Mass: 178.30306
• Monoisotopic Mass: 178.0813916
• SMILES: C[Si](C)(C)c1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C10H14OSi/c1-12(2,3)10-6-4-9(8-11)5-7-10/h4-8H,1-3H3
• InChIKey: BPCNVZGALJUWSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(trimethylsilyl)benzaldehyde
• IUPAC Traditional name: 4-(trimethylsilyl)benzaldehyde
• Synonyms: 4-(Trimethylsilyl)benzaldehyde

Database IDs

• CAS Number: 2199-32-8
• MDL Number: MFCD08064053
• PubChem SID: 180672340
• PubChem CID: 637573

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3067
• LogD (pH = 7.4): 3.3067
• Log P: 3.3067
• Molar Refractivity: 48.7056 cm^3
• Polarizability: 20.68576 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%