Mappain

Molecule SVG Image

Properties Simple | Detailed

Formula C29H36O4
IUPAC Name 5-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-3-[(2e)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol
Molecular Mass 448.594 g·mol−1
Heat of Formation -631.6 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 587.99 Å 3
Surface Area 464.63 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-3-[(2e)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol
  • 5-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-3-[(2e)-3,7-dimethylocta-2,6-dienyl]pyrocatechol
  • 5-[2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-(3,7-dimethylocta-2,6-dienyl)benzene-1,2-diol
  • 5-[2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-3-(3,7-dimethylocta-2,6-dienyl)benzene-1,2-diol
  • 5-[2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-3-(3,7-dimethylocta-2,6-dienyl)pyrocatechol
InChIKey GJZKDVGLDGLPMB-ZVBRSKEYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O