{[(6S)-6-(3,4-dichlorophenyl)-1aH,6H,7H,7aH-naphtho[1,2-b]oxiren-1a-yl]oxy}triethylsilane

• ChemBase ID: 167123
• Molecular Formular: C22H26Cl2O2Si
• Molecular Mass: 421.43214
• Monoisotopic Mass: 420.10791196
• SMILES: C12(c3c([C@@H](CC1O2)c1ccc(c(c1)Cl)Cl)cccc3)O[Si](CC)(CC)CC
• Canonical SMILES: CC[Si](OC12OC1C[C@H](c1c2cccc1)c1ccc(c(c1)Cl)Cl)(CC)CC
• InChI: InChI=1S/C22H26Cl2O2Si/c1-4-27(5-2,6-3)26-22-18-10-8-7-9-16(18)17(14-21(22)25-22)15-11-12-19(23)20(24)13-15/h7-13,17,21H,4-6,14H2,1-3H3/t17-,21?,22?/m0/s1
• InChIKey: KMNMUXYKKYGKEC-YTXWROIDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(6S)-6-(3,4-dichlorophenyl)-1aH,6H,7H,7aH-naphtho[1,2-b]oxiren-1a-yl]oxy}triethylsilane
• IUPAC Traditional name: {[(6S)-6-(3,4-dichlorophenyl)-6H,7H,7aH-naphtho[1,2-b]oxiren-1a-yl]oxy}triethylsilane
• Synonyms: (4S)-(3',4'-Dichlorophenyl)-3,4-dihydro-1,2-epoxy-1-O-triethylsilyl-1-naphthol

Database IDs

• CAS Number: 1217528-57-8
• PubChem SID: 162261256
• PubChem CID: 45038970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.8739
• LogD (pH = 7.4): 7.8739
• Log P: 7.8739
• Molar Refractivity: 108.9159 cm^3
• Polarizability: 44.865776 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Light-Yellow Solid