α-Cyperone

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Properties Simple | Detailed

Formula C15H22O
IUPAC Name (4as,7r)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Molecular Mass 218.335 g·mol−1
Heat of Formation -233.4 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 300.09 Å 3
Surface Area 257.68 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,7r)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
  • (4as,7r)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
  • (4as-cis)-4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3h)-naphthalenone
  • 2(3h)-naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4as-cis)-
CAS Number(s)
  • 473-08-5
InChIKey KUFXJZXMWHNCEH-DOMZBBRYSA-N
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