[(2S)-4-(benzenesulfonyl)-2-methylbutoxy](tert-butyl)dimethylsilane

• ChemBase ID: 163367
• Molecular Formular: C17H30O3SSi
• Molecular Mass: 342.5688
• Monoisotopic Mass: 342.16849235
• SMILES: [Si](OC[C@H](CCS(=O)(=O)c1ccccc1)C)(C(C)(C)C)(C)C
• Canonical SMILES: C[C@H](CO[Si](C(C)(C)C)(C)C)CCS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C17H30O3SSi/c1-15(14-20-22(5,6)17(2,3)4)12-13-21(18,19)16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m0/s1
• InChIKey: NSLQXEKRUVWTFB-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-4-(benzenesulfonyl)-2-methylbutoxy](tert-butyl)dimethylsilane
• IUPAC Traditional name: [(2S)-4-(benzenesulfonyl)-2-methylbutoxy](tert-butyl)dimethylsilane
• Synonyms: (1,1-Dimethylethyl)dimethyl[(2S)-2-methyl-4-(phenylsulfonyl)butoxy]silane; [[(3S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-methylbutyl]sulfonyl]benzene; (3S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-3-methylbutyl Phenyl Sulfone

Database IDs

• CAS Number: 218613-98-0
• PubChem SID: 162257502
• PubChem CID: 11782846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9694
• LogD (pH = 7.4): 3.9694
• Log P: 3.9694
• Molar Refractivity: 90.1006 cm^3
• Polarizability: 38.34359 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate
• Apperance: Clear Colourless Liquid