2-{[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]Methyl}-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name 2-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone
Molecular Mass 312.446 g·mol−1
Heat of Formation -283.4 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 403.05 Å 3
Surface Area 311.88 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1r-(1-alpha,2-beta,4a-beta,8a-alpha))-
  • 2,5-cyclohexadiene-1,4-dione, 2-[[(1r,2s,4as,8as)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-
  • 2-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone
  • 2-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-p-benzoquinone
  • 2-[[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
  • avarone
CAS Number(s)
  • 55303-99-6
InChIKey VPRHEJGLNUDEEH-LWILDLIXSA-N
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