3-[(tert-butyldimethylsilyl)oxy]propanal

• ChemBase ID: 163380
• Molecular Formular: C9H20O2Si
• Molecular Mass: 188.3394
• Monoisotopic Mass: 188.12325641
• SMILES: C(CO[Si](C)(C)C(C)(C)C)C=O
• Canonical SMILES: O=CCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,6,8H2,1-5H3
• InChIKey: WGWCJTNWUFFGFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(tert-butyldimethylsilyl)oxy]propanal
• IUPAC Traditional name: 3-[(tert-butyldimethylsilyl)oxy]propanal
• Synonyms: 3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]propanal; 3-(tert-Butyl-dimethylsilanyloxy)propionaldehyde; 3-[(tert-Butyldimethylsilyl)oxy]-1-propanal

Database IDs

• CAS Number: 89922-82-7
• PubChem SID: 162257515
• PubChem CID: 3662392

CALCULATED PROPERTIES

• Acid pKa: 13.502542
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6095
• LogD (pH = 7.4): 1.6094997
• Log P: 1.6095
• Molar Refractivity: 47.968 cm^3
• Polarizability: 21.004597 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Hexane; Methanol
• Apperance: Pink to Oil

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere