5,5'-[(2S,3S)-2,3-Bis(Methoxymethyl)-1,4-Butanediyl]Bis(1,3-Benzodioxole)

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Properties Simple | Detailed

Formula C22H26O6
IUPAC Name 5-[(2s,3s)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-2-(methoxymethyl)butyl]-1,3-benzodioxole
Molecular Mass 386.438 g·mol−1
Heat of Formation -745.7 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 469.92 Å 3
Surface Area 403.51 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C2
Synonyms
  • 5-[(2s,3s)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-2-(methoxymethyl)butyl]-1,3-benzodioxole
  • cubebin dimethyl ether
InChIKey NQFDLHKMNTXMAG-QZTJIDSGSA-N
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