(3R,3Ar,7Ar)-3-{[(2-Methyl-2-Propanyl)(Diphenyl)Silyl]Oxy}-2,3,3A,7A-Tetrahydro-1-Benzothiophen-5(4H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C24H28O4SSi
IUPAC Name (3r,3ar,7ar)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-dioxo-3,3a,4,7a-tetrahydro-2h-benzothiophen-5-one
Molecular Mass 440.627 g·mol−1
Heat of Formation -699.0 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 527.76 Å 3
Surface Area 399.76 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3ar,7ar)-3-(tert-butyl-di(phenyl)silyl)oxy-1,1-diketo-3,3a,4,7a-tetrahydro-2h-benzothiophen-5-one
  • (3r,3ar,7ar)-3-(tert-butyl-di(phenyl)silyl)oxy-1,1-dioxo-3,3a,4,7a-tetrahydro-2h-1-benzothiophen-5-one
  • (3r,3ar,7ar)-3-(tert-butyl-di(phenyl)silyl)oxy-1,1-dioxo-3,3a,4,7a-tetrahydro-2h-benzothiophen-5-one
  • 3-bstbtd
  • 3-tert-butyldiphenylsiloxy-2,3,3a,7a-tetrahydrobenzo(b)thiophen-5(4h)-one 1,1-dioxide
  • benzo(b)thiophen-5(4h)-one, 3-(((1,1-dimethylethyl)diphenylsilyl)oxy)-2,3,3a,7a-tetrahydro-, 1,1-dioxide, (3alpha,3abeta,7abeta)-(+-)-
CAS Number(s)
  • 127486-99-1
InChIKey RPMKJJTXIMDQTB-XPWALMASSA-N
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