2-[(1R,3S)-3-Hydroxycyclohexyl]-5-(2-Methyl-2-Octanyl)Phenol

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]phenol
Molecular Mass 318.493 g·mol−1
Heat of Formation -582.9 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 440.22 Å 3
Surface Area 384.1 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r,3s)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
  • 3-(4-(1,1-dimethylheptyl)-2-hydroxyphenyl)cyclohexanol
  • 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]phenol
  • cis-3-(2-hydroxy-4-(1,1-dimethylheptylphenyl)-cyclohexan-1-ol)
  • cp 47,497
  • cp 47497
  • phenol, 5-(1,1-dimethylheptyl)-2-(3-hydroxycyclohexyl)-, cis-
CAS Number(s)
  • 70434-82-1
InChIKey ZWWRREXSUJTKNN-AEFFLSMTSA-N
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