Dimethyl (3Ar,7R,8As)-7-Isopropyl-3,3A,6,7,8,8A-Hexahydro-1,4-Azulenedicarboxylate

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Formula C17H24O4
IUPAC Name dimethyl (3ar,7r,8as)-7-isopropyl-3,3a,6,7,8,8a-hexahydroazulene-1,4-dicarboxylate
Molecular Mass 292.370 g·mol−1
Heat of Formation -710.5 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 370.05 Å 3
Surface Area 309.56 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,7r,8as)-7-isopropyl-3,3a,6,7,8,8a-hexahydroazulene-1,4-dicarboxylic acid dimethyl ester
  • dimethyl (3ar,7r,8as)-7-isopropyl-3,3a,6,7,8,8a-hexahydroazulene-1,4-dicarboxylate
  • dimethyl (3ar,7r,8as)-7-propan-2-yl-3,3a,6,7,8,8a-hexahydroazulene-1,4-dicarboxylate
InChIKey PGWDGWLUCSHIJA-XUJVJEKNSA-N
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