(1S,6R,7R)-4-Isopropylidene-1-Methyl-7-(3-Oxobutyl)Bicyclo[4.1.0]Heptan-3-One

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Properties Simple | Detailed

Formula C15H22O2
IUPAC Name (1s,6r,7r)-4-isopropylidene-1-methyl-7-(3-oxobutyl)norcaran-3-one
Molecular Mass 234.334 g·mol−1
Heat of Formation -375.5 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 313.7 Å 3
Surface Area 280.27 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,7r)-1-methyl-7-(3-oxobutyl)-4-propan-2-ylidene-bicyclo[4.1.0]heptan-3-one
  • (1s,6r,7r)-1-methyl-7-(3-oxobutyl)-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one
  • (1s,6r,7r)-4-isopropylidene-1-methyl-7-(3-oxobutyl)-3-norcaranone
  • (1s,6r,7r)-4-isopropylidene-1-methyl-7-(3-oxobutyl)norcaran-3-one
  • (1s,6r,7r)-4-isopropylidene-7-(3-ketobutyl)-1-methyl-norcaran-3-one
  • bicyclo(4.1.0)heptan-3-one, 1-methyl-4-(1-methylethylidene)-7-(3-oxobutyl)-, (1s,6r,7r)-
CAS Number(s)
  • 100347-96-4
InChIKey HUZJLWLCLJEXEL-NFAWXSAZSA-N
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