2-[(1R,6R)-6-Isopropenyl-3-Methyl-2-Cyclohexen-1-Yl]-5-(2-Methyl-2-Octanyl)-1,3-Benzenediol

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Properties Simple | Detailed

Formula C25H38O2
IUPAC Name 5-(1,1-dimethylheptyl)-2-[(1r,6r)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]benzene-1,3-diol
Molecular Mass 370.568 g·mol−1
Heat of Formation -509.2 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 516.4 Å 3
Surface Area 390.68 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1'',1''-dimethylheptylcannabidiol
  • 1,3-benzenediol, 5-(1,1-dimethylheptyl)-2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-, (1r-trans)-
  • 5-(1,1-dimethylheptyl)-2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol
  • 5-(1,1-dimethylheptyl)-2-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]benzene-1,3-diol
  • 5-(1,1-dimethylheptyl)-2-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]resorcinol
  • 5-(1,1-dimethylheptyl)cannabidiol
  • 5-(2-methyloctan-2-yl)-2-[(1r,6r)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]benzene-1,3-diol
CAS Number(s)
  • 97452-63-6
InChIKey MPJURNPNPDQYSY-LEWJYISDSA-N
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