(3Ar,4As,7S,8Ar,9Ar)-7-Hydroxy-8A-Methyl-3,5-Bis(Methylene)Decahydronaphtho[2,3-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3ar,4as,7s,8ar,9ar)-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -495.7 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 310.79 Å 3
Surface Area 262.48 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4as,7s,8ar,9ar)-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
  • ivalin
CAS Number(s)
  • 5938-03-4
InChIKey OVIILQQKQPCQTF-GGAZOKNXSA-N
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