(+)-β-Thujone

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Properties Simple | Detailed

Formula C10H16O
IUPAC Name (1r,2s,5s)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
Molecular Mass 152.233 g·mol−1
Heat of Formation -196.5 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 214.04 Å 3
Surface Area 197.65 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 3.96 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-3-thujone
  • (+)-thujone
  • (1s,4s,5r)-1-isopropyl-4-methyl-3-bicyclo[3.1.0]hexanone
  • (1s,4s,5r)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one
  • (1s,4s,5r)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one
  • (1s,4s,5r)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
  • 3-thujanone, (1s,4s,5r)-(+)-
  • alpha/beta thujone mixture
  • bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1s-(1-alpha,4-beta,5-alpha))- (9ci)
  • d-thujone
InChIKey USMNOWBWPHYOEA-XKSSXDPKSA-N
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Elements H C O