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

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Formula C17H22O5
IUPAC Name dimethyl (3ar,7r,8as)-7-isopropyl-6-oxo-3a,7,8,8a-tetrahydro-3h-azulene-1,4-dicarboxylate
Molecular Mass 306.354 g·mol−1
Heat of Formation -822.4 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 371.95 Å 3
Surface Area 322.75 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,7r,8as)-7-isopropyl-6-keto-3a,7,8,8a-tetrahydro-3h-azulene-1,4-dicarboxylic acid dimethyl ester
  • (3ar,7r,8as)-7-isopropyl-6-oxo-3a,7,8,8a-tetrahydro-3h-azulene-1,4-dicarboxylic acid dimethyl ester
  • dimethyl (3ar,7r,8as)-6-oxo-7-propan-2-yl-3a,7,8,8a-tetrahydro-3h-azulene-1,4-dicarboxylate
  • dimethyl (3ar,7r,8as)-7-isopropyl-6-oxo-3a,7,8,8a-tetrahydro-3h-azulene-1,4-dicarboxylate
InChIKey YEXAUOOBSOCFCB-RTXFEEFZSA-N
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