4-[(1R,6R)-6-Isopropenyl-3-Methyl-2-Cyclohexen-1-Yl]-5-Pentyl-1,3-Benzenediol

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Properties Simple | Detailed

Formula C21H30O2
IUPAC Name 4-[(1r,6r)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol
Molecular Mass 314.462 g·mol−1
Heat of Formation -439.9 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 427.22 Å 3
Surface Area 355.74 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-(-)-4-p-mentha-1,8-dien-3-yl-5-pentylresorcinol
  • 4-[(1r,6r)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentyl-benzene-1,3-diol
  • 4-[(1r,6r)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol
  • 4-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-pentyl-benzene-1,3-diol
  • 4-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol
  • 5-amyl-4-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]resorcinol
  • resorcinol, 4-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(e)-
CAS Number(s)
  • 22972-55-0
InChIKey YWEZXUNAYVCODW-RBUKOAKNSA-N
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