4-bromophenoxytris(propan-2-yl)silane

• ChemBase ID: 163006
• Molecular Formular: C15H25BrOSi
• Molecular Mass: 329.3479
• Monoisotopic Mass: 328.08580395
• SMILES: c1c(ccc(c1)Br)O[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)Oc1ccc(cc1)Br)C
• InChI: InChI=1S/C15H25BrOSi/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h7-13H,1-6H3
• InChIKey: HFFWXPIQBUOVFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromophenoxytris(propan-2-yl)silane
• IUPAC Traditional name: 4-bromophenoxytriisopropylsilane
• Synonyms: 1-Bromo-4-triisopropylsilyloxybenzene; (4-Bromophenoxy)tris(1-methylethyl)silane; 1-Bromo-4-[[tris(1-methylethyl)silyl]oxy]benzene; 4-Bromophenoxytriisopropylsilane

Database IDs

• CAS Number: 193966-77-7
• PubChem SID: 162257141
• PubChem CID: 536194

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0991
• LogD (pH = 7.4): 6.0991
• Log P: 6.0991
• Molar Refractivity: 79.123 cm^3
• Polarizability: 33.196766 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Oil

DETAILS

Toronto Research Chemicals - B686400

Tyramine intermediate.

REFERENCES

• Tan, E., et al.: Chem. Biol., 15, 343 (2008)
• Ocasio, C., et al.: Bioorg., Med., Chem., 16, 762 (2008)