(1S,2R,3R,7R)-7-Isopropenyl-1-Methyl-1,2,3,4,5,6,7,8-Octahydro-2,3-Naphthalenediol

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Formula C14H22O2
IUPAC Name (1s,2r,3r,7r)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
Molecular Mass 222.323 g·mol−1
Heat of Formation -433.5 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 295.29 Å 3
Surface Area 258.13 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (1alpha,2beta,3alpha,7beta)-(-)-1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol
  • (1s,2r,3r,7r)-1-methyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
  • (1s,2r,3r,7r)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
  • 2,3-naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1alpha,2beta,3alpha,7beta)-(-)-
  • 2,3-naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1s,2r,3r,7r)-
  • 7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-naphthalene-2,3-diol
  • rel-(1r,2s,3s,7s)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
  • rishitin
CAS Number(s)
  • 18178-54-6
InChIKey XSCYYIVXGBKTOC-GZZJDILISA-N
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