(2R,3S,5R,6R)-3-[(1E,3E)-1,3-Heptadien-1-Yl]-5,6-Dihydroxy-2-(Hydroxymethyl)Cyclohexanone

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Formula C14H22O4
IUPAC Name (2r,3r,5s,6r)-5-[(1e,3e)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexanone
Molecular Mass 254.322 g·mol−1
Heat of Formation -738.6 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 327.07 Å 3
Surface Area 300.58 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,5s,6r)-5-[(1e,3e)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)-1-cyclohexanone
  • (2r,3r,5s,6r)-5-[(1e,3e)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
  • (2r,3r,5s,6r)-5-[(1e,3e)-hepta-1,3-dienyl]-2,3-dihydroxy-6-methylol-cyclohexan-1-one
  • cyclohexanone, 3-(1,3-heptadienyl)-5,6-dihydroxy-2-(hydroxymethyl)-, (2alpha,3beta(1e,3e),5alpha,6alpha)-
CAS Number(s)
  • 15265-28-8
InChIKey MPOXQBRZHHNMER-XZQMCIKJSA-N
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