(3Z,5Z,7Z)-6-Methyl-8-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-3,5,7-Octatrien-2-One

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Formula C18H26O
IUPAC Name (3z,5z,7z)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-one
Molecular Mass 258.398 g·mol−1
Heat of Formation -155.4 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 361.06 Å 3
Surface Area 287.95 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5z,7z)-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)octa-3,5,7-trien-2-one
  • beta-apo-13-carotenone
CAS Number(s)
  • 85354-07-0
InChIKey UBTNVRPIHJRBCI-CTTRYRGJSA-N
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Elements H C O