5-[(tert-butyldimethylsilyl)oxy]pentanal

• ChemBase ID: 291895
• Molecular Formular: C11H24O2Si
• Molecular Mass: 216.39256
• Monoisotopic Mass: 216.15455654
• SMILES: CC(C)(C)[Si](C)(C)OCCCCC=O
• Canonical SMILES: O=CCCCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C11H24O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h9H,6-8,10H2,1-5H3
• InChIKey: YTNNMAIKEURUTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(tert-butyldimethylsilyl)oxy]pentanal
• IUPAC Traditional name: 5-[(tert-butyldimethylsilyl)oxy]pentanal
• Synonyms: 5-((tert-Butyldimethylsilyl)oxy)pentanal

Database IDs

• CAS Number: 87184-80-3
• MDL Number: MFCD09831902
• PubChem SID: 180677426
• PubChem CID: 10987703

CALCULATED PROPERTIES

• Acid pKa: 17.479305
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2575
• LogD (pH = 7.4): 2.2575
• Log P: 2.2575
• Molar Refractivity: 57.324 cm^3
• Polarizability: 24.685276 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%