O~15~-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,4,6,8-Nonatetraen-1-Yl]Retinoic Acid

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Properties Simple | Detailed

Formula C40H56O2
IUPAC Name 1-ethynyl-3-methyl-2-[2-(2-methylcyclopropen-1-yl)ethynyl]benzene; 1-methyl-3,5-dimethylene-6-[(2-prop-1-ynylcyclopropylidene)methylene]cyclohexene; molecular oxygen
Molecular Mass 568.871 g·mol−1
Heat of Formation -265.2 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 801.6 Å 3
Surface Area 682.84 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester
  • [(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate
InChIKey QNCTWCFXYGJGKU-CHOOPKNISA-N
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