{[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]oxy}triethylsilane

• ChemBase ID: 167128
• Molecular Formular: C22H26Cl2OSi
• Molecular Mass: 405.43274
• Monoisotopic Mass: 404.11299734
• SMILES: C1(=CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl)O[Si](CC)(CC)CC
• Canonical SMILES: CC[Si](OC1=CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl)(CC)CC
• InChI: InChI=1S/C22H26Cl2OSi/c1-4-26(5-2,6-3)25-22-14-12-17(18-9-7-8-10-19(18)22)16-11-13-20(23)21(24)15-16/h7-11,13-15,17H,4-6,12H2,1-3H3/t17-/m0/s1
• InChIKey: NDIGFFDTUZWVGW-KRWDZBQOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]oxy}triethylsilane
• IUPAC Traditional name: {[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]oxy}triethylsilane
• Synonyms: (4S)-(3',4'-Dichlorophenyl)-3,4-dihydro-1-O-triethylsilyl-1-naphthol; (1S)-1-(3,4-Dichlorophenyl)-1,2-dihydro-4-[(triethylsilyl)oxy]naphthalene

Database IDs

• CAS Number: 1217778-10-3
• PubChem SID: 162261261
• PubChem CID: 45038971

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9795
• LogD (pH = 7.4): 6.9795
• Log P: 6.9795
• Molar Refractivity: 111.0906 cm^3
• Polarizability: 44.731865 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane,
• Apperance: Light-Brown Oil