Methyl (2E,3Z,5E)-6-{(3S)-4,4-Dimethyl-3-[(3-Methyl-2-Buten-1-Yl)Oxy]-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl}-2-(Methoxymethylene)-3-Methyl-3,5-Hexadienoate

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Properties Simple | Detailed

Formula C26H34O6
IUPAC Name methyl (2e,3z,5e)-6-[(3s)-4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
Molecular Mass 442.545 g·mol−1
Heat of Formation -842.5 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 564.11 Å 3
Surface Area 471.5 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,3z,5e)-6-[(3s)-2,2-dimethyl-3-(3-methylbut-2-enoxy)-3,4-dihydro-1,5-benzodioxepin-8-yl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoic acid methyl ester
  • (2e,3z,5e)-6-[(3s)-2,2-dimethyl-3-(3-methylbut-2-enoxy)-3,4-dihydro-1,5-benzodioxepin-8-yl]-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid methyl ester
  • 3,5-hexadienoic acid, 6-(3,4-dihydro-4,4-dimethyl-3-((3-methyl-2-butenyl)oxy)-2h-1,5-benzodioxepin-7-yl)-2-(methoxymethylene)-3-methyl-, methyl ester
  • methyl (2e,3z,5e)-6-[(3s)-2,2-dimethyl-3-(3-methylbut-2-enoxy)-3,4-dihydro-1,5-benzodioxepin-8-yl]-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
CAS Number(s)
  • 129145-64-8
InChIKey CGBAOGDKJZIWTF-BDONDIIXSA-N
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