(1R,2R,7S,8Ar)-7-Isopropenyl-1,8A-Dimethyl-6-Oxo-1,2,3,4,6,7,8,8A-Octahydro-2-Naphthalenyl (2Z)-3-(Methylsulfanyl)Acrylate

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Properties Simple | Detailed

Formula C19H26O3S
IUPAC Name [(1r,2r,7s,8ar)-7-isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (z)-3-methylsulfanylprop-2-enoate
Molecular Mass 334.473 g·mol−1
Heat of Formation -479.2 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 424.17 Å 3
Surface Area 355.22 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4ar,5r,6r)-[2,3,4,4a,5,6,7,8-octahydro-3-(2-propenyl)-4a,5-dimethyl-2-oxo-6-naphthyl] z-3'-methylthio-1'-propenoate
  • (z)-3-(methylthio)acrylic acid [(1r,2r,7s,8ar)-7-isopropenyl-6-keto-1,8a-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] ester
  • (z)-3-(methylthio)prop-2-enoic acid [(1r,2r,7s,8ar)-7-isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] ester
  • [(1r,2r,7s,8ar)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (z)-3-methylsulfanylprop-2-enoate
  • [(1r,2r,7s,8ar)-7-isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (z)-3-methylsulfanylprop-2-enoate
InChIKey OHANKWLYFDFHOJ-RFTFGCRPSA-N
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