(1S,4R,5R,8S)-4-{(Z)-2-[2,4-Bis(Trifluoromethyl)Phenyl]Vinyl}-4,8-Dimethyl-2,3-Dioxabicyclo[3.3.1]Nonan-7-One

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Properties Simple | Detailed

Formula C19H18F6O3
IUPAC Name (1s,4r,5r,8s)-4-[(z)-2-[2,4-bis(trifluoromethyl)phenyl]vinyl]-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonan-7-one
Molecular Mass 408.335 g·mol−1
Heat of Formation -1541.2 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 420.32 Å 3
Surface Area 327.57 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s,5s,8r)-8-[(z)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-4,8-dimethyl-6,7-dioxabicyclo[3.3.1]nonan-3-one
  • (1r,4s,5s,8r)-8-[(z)-2-[2,4-bis(trifluoromethyl)phenyl]vinyl]-4,8-dimethyl-6,7-dioxabicyclo[3.3.1]nonan-3-one
  • (1s,4r,5r,8s)-4-((z)-2,4-bis(trifluoromethyl)styryl)-4,8-dimethyl-2,3-dioxabicyclo(3.3.1)nonan-7-one
  • 2,3-dioxabicyclo(3.3.1)nonan-7-one, 4-(2-(2,4-bis(trifluoromethyl)phenyl)ethenyl)-4,8-dimethyl-(1s-(1alpha,4beta(z),5alpha,8beta))-
  • arteflene
  • arteflene (usan)
  • d02989
  • ro 42-1611
  • ro-42-1611
CAS Number(s)
  • 123407-36-3
InChIKey LRTRTVPZZJAADL-DAHZFVMQSA-N
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