Ethyl 2-(7-Ethoxy-3-Methyl-7-Oxo-1,3,5-Heptatrien-1-Yl)-1,3-Dimethyl-4-Oxocyclohexanecarboxylate

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Formula C21H30O5
IUPAC Name ethyl (1s,2r,3s)-2-[(1e,3e,5e)-7-ethoxy-3-methyl-7-oxo-hepta-1,3,5-trienyl]-1,3-dimethyl-4-oxo-cyclohexanecarboxylate
Molecular Mass 362.460 g·mol−1
Heat of Formation -923.2 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 468.74 Å 3
Surface Area 400.18 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey STCXGUDTDNHACQ-BPKCHMDZSA-N
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Elements H C O