3,5-Dihydroxy-2-Isobutyryl-4,6,6-Tris(3-Methyl-2-Buten-1-Yl)-2,4-Cyclohexadien-1-One

Molecule SVG Image

Properties Simple | Detailed

Formula C25H36O4
IUPAC Name 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Molecular Mass 400.551 g·mol−1
Heat of Formation -778.4 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 539.54 Å 3
Surface Area 389.32 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxopropyl)-
  • 3,5-dihydroxy-2-isobutyryl-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  • 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methyl-1-oxopropyl)-1-cyclohexa-2,4-dienone
  • 3,5-dihydroxy-4-isobutyryl-2,6,6-tris-(3-methyl-but-2-enyl)-cyclohexa-2,4-dienone
  • co-lupulone
  • colupulone
CAS Number(s)
  • 468-27-9
InChIKey UNCDMWKTFLUPHZ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O