3-Methoxy-4-Methyl-5-(3-Methyl-2-Butenyloxy)-1,2-Benzenedimethanol

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Properties Simple | Detailed

Formula C15H22O4
IUPAC Name [2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanol
Molecular Mass 266.333 g·mol−1
Heat of Formation -645.7 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 342.09 Å 3
Surface Area 309.89 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenedimethanol, 3-methoxy-4-methyl-5-((3-methyl-2-butenyl)oxy)-
  • [2-methoxy-3-methyl-4-(3-methylbut-2-enoxy)-6-methylol-phenyl]methanol
  • [6-(hydroxymethyl)-2-methoxy-3-methyl-4-(3-methylbut-2-enoxy)phenyl]methanol
  • acon1_002206
  • zinniol
CAS Number(s)
  • 17811-28-8
InChIKey DUMQPTRUYCCSEZ-UHFFFAOYSA-N
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