2-[(1S,2R,5S)-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-[(1s,2r,5s)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
Molecular Mass 376.573 g·mol−1
Heat of Formation -814.2 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 523.36 Å 3
Surface Area 406.32 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s,2r,5s)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
  • 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)phenol
  • 5-(1,1-dimethylheptyl)-2-[(1s,2r,5s)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
CAS Number(s)
  • 83002-04-4
InChIKey YNZFFALZMRAPHQ-CBQOVEMMSA-N
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