5,5'-Diallyl-3-[(1S,6S)-6-Isopropyl-3-Methyl-2-Cyclohexen-1-Yl]-2,2'-Biphenyldiol

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Properties Simple | Detailed

Formula C28H34O2
IUPAC Name 4-allyl-2-(5-allyl-2-hydroxy-phenyl)-6-[(1s,6s)-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]phenol
Molecular Mass 402.568 g·mol−1
Heat of Formation -225.1 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 543.28 Å 3
Surface Area 448.95 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-hydroxy-5-prop-2-enyl-phenyl)-6-[(1s,6s)-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]-4-prop-2-enyl-phenol
  • 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(1s,6s)-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]-4-prop-2-enylphenol
  • 4-allyl-2-(5-allyl-2-hydroxy-phenyl)-6-[(1s,6s)-6-isopropyl-3-methyl-1-cyclohex-2-enyl]phenol
  • 4-allyl-2-(5-allyl-2-hydroxyphenyl)-6-[(1s,6s)-6-isopropyl-3-methyl-1-cyclohex-2-enyl]phenol
InChIKey QIWQHZQTBNPZSG-XZOQPEGZSA-N
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