tert-butyl(4-[(1E)-1-[4-(2-chloroethoxy)phenyl]-2-phenyl(2H5)but-1-en-1-yl]phenoxy)dimethylsilane

• ChemBase ID: 164275
• Molecular Formular: C30H37ClO2Si
• Molecular Mass: 493.15208
• Monoisotopic Mass: 492.22513464
• SMILES: c1cc(ccc1O[Si](C(C)(C)C)(C)C)/C(=C(/c1ccccc1)\CC)/c1ccc(cc1)OCCCl
• Canonical SMILES: ClCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C30H37ClO2Si/c1-7-28(23-11-9-8-10-12-23)29(24-13-17-26(18-14-24)32-22-21-31)25-15-19-27(20-16-25)33-34(5,6)30(2,3)4/h8-20H,7,21-22H2,1-6H3/b29-28+
• InChIKey: ODAPRONGKJOXCU-ZQHSETAFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(4-[(1E)-1-[4-(2-chloroethoxy)phenyl]-2-phenyl(^2H₅)but-1-en-1-yl]phenoxy)dimethylsilane
• IUPAC Traditional name: tert-butyl(4-[(1E)-1-[4-(2-chloroethoxy)phenyl]-2-phenyl(^2H₅)but-1-en-1-yl]phenoxy)dimethylsilane
• Synonyms: N-(4-Chloro-6-ethoxyphenyl)-2,2-dimethylpropanamide

Database IDs

• CAS Number: 922162-66-1
• PubChem SID: 162258410
• PubChem CID: 45038633

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.4003
• LogD (pH = 7.4): 9.4003
• Log P: 9.4003
• Molar Refractivity: 151.584 cm^3
• Polarizability: 57.651783 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Dimethyl Sulfoxide; Ethyl Acetate; Methanol
• Apperance: Brown Solid