(3S,3As,8Ar)-3-Hydroxy-5-Isopropylidene-3,8-Dimethyl-2,3,3A,4,5,8A-Hexahydro-6(1H)-Azulenone

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Properties Simple | Detailed

Formula C15H22O2
IUPAC Name (3s,3as,8ar)-3-hydroxy-5-isopropylidene-3,8-dimethyl-2,3a,4,8a-tetrahydro-1h-azulen-6-one
Molecular Mass 234.334 g·mol−1
Heat of Formation -417.2 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 310.46 Å 3
Surface Area 269.38 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,8ar)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1h-azulen-6-one
  • (3s,3as,8ar)-3-hydroxy-5-isopropylidene-3,8-dimethyl-2,3a,4,8a-tetrahydro-1h-azulen-6-one
CAS Number(s)
  • 21698-40-8
InChIKey RHBOHEXDGUVIIY-WHOFXGATSA-N
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