(E,E)-3-(4-((3,7-Dimethyl-2,6-Octadienyl)Oxy)-3,5-Dimethoxyphenyl)-2-Propen-1-Ol

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (e)-3-[4-[(2e)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxy-phenyl]prop-2-en-1-ol
Molecular Mass 346.461 g·mol−1
Heat of Formation -536.1 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 464.76 Å 3
Surface Area 402.39 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-[(2e)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxy-phenyl]prop-2-en-1-ol
  • (e)-3-[4-[(2e)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]prop-2-en-1-ol
  • 2-propen-1-ol, 3-(4-((3,7-dimethyl-2,6-octadienyl)oxy)-3,5-dimethoxyphenyl)-, (e,e)-
  • acon1_002398
  • megxp0_001031
  • o-geranylsinapyl alcohol
CAS Number(s)
  • 77836-86-3
InChIKey MWNIFFJAKKQUJF-NRHDHWSESA-N
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