4-(trimethoxysilyl)butanal

• ChemBase ID: 179190
• Molecular Formular: C7H16O4Si
• Molecular Mass: 192.28504
• Monoisotopic Mass: 192.08178552
• SMILES: C(CCC=O)[Si](OC)(OC)OC
• Canonical SMILES: O=CCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C7H16O4Si/c1-9-12(10-2,11-3)7-5-4-6-8/h6H,4-5,7H2,1-3H3
• InChIKey: LFBTVXFMAJQXJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(trimethoxysilyl)butanal
• IUPAC Traditional name: 4-(trimethoxysilyl)butanal
• Synonyms: 4-(Trimethoxysilyl)butanal

Database IDs

• CAS Number: 501004-24-6
• PubChem SID: 164235100
• PubChem CID: 10285853

CALCULATED PROPERTIES

• Acid pKa: 14.640192
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.1644
• LogD (pH = 7.4): 0.16439998
• Log P: 0.1644
• Molar Refractivity: 41.2034 cm^3
• Polarizability: 18.79384 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T795735

It is used in the methods to examine alumina nanotubule membranes that were modified with specific silanes.

REFERENCES

• Martin, C., et al.: Science, 266, 1961 (1994)
• Haneda, M., et al.: Phys. Chem. Chem. Phys., 3, 1366 (1994)
• He, B., et al.: Langmuir, 22, 8263 (1994)