2-[(1R,2R,5R)-5-Hydroxy-2-(3-Hydroxypropyl)Cyclohexyl]-5-(2-Methyl-2-Octanyl)Phenol

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Properties Simple | Detailed

Formula C24H40O3
IUPAC Name 5-(1,1-dimethylheptyl)-2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
Molecular Mass 376.573 g·mol−1
Heat of Formation -809.6 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 520.35 Å 3
Surface Area 444.98 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
  • 5-(1,1-dimethylheptyl)-2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
  • 5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
  • cp 55940
  • pdsp2_000199
  • pdsp2_000671
  • phenol, 5-(1,1-dimethylheptyl)-2-((1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, rel-
  • phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, (1alpha,2beta,5alpha)-
CAS Number(s)
  • 83003-12-7
InChIKey YNZFFALZMRAPHQ-SYYKKAFVSA-N
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