(1S,4S)-4-Isopropenyl-1-Methyl-2-Cyclohexen-1-Yl Hydroperoxide

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Properties Simple | Detailed

Formula C10H16O2
IUPAC Name (3s,6s)-3-hydroperoxy-6-isopropenyl-3-methyl-cyclohexene
Molecular Mass 168.233 g·mol−1
Heat of Formation -97.6 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 227.99 Å 3
Surface Area 209.41 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-hydroperoxy-3-methyl-6-prop-1-en-2-yl-cyclohexene
  • (3s,6s)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene
  • (3s,6s)-3-hydroperoxy-6-isopropenyl-3-methyl-cyclohexene
  • (3s,6s)-3-hydroperoxy-6-isopropenyl-3-methylcyclohexene
InChIKey LCOVCELWSKTKHX-NXEZZACHSA-N
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