Methyl (2E,3E,5E)-4-Methoxy-2-(Methoxymethylene)-3-Methyl-6-[(3S)-3-{2-[(2-Methyl-3-Buten-2-Yl)Oxy]-2-Propanyl}-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-3,5-Hexadienoate

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Properties Simple | Detailed

Formula C27H36O7
IUPAC Name methyl (2e,3e,5e)-6-[(3s)-3-[1-(1,1-dimethylallyloxy)-1-methyl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methoxy-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
Molecular Mass 472.571 g·mol−1
Heat of Formation -989.8 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 596.05 Å 3
Surface Area 484.73 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-hexadienoic acid, 6-[(3s)-3-[1-[(1,1-dimethyl-2-propenyl)oxy]-1-methylethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methoxy-2-(methoxymethylene)-3-methyl-, methyl ester, (2e,3e,5e)-
InChIKey IKBKPRBEIXBOIF-GHJTYKTFSA-N
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Elements H C O