(4S,5R)-4-Hydroxy-5-[(1Z,4E)-6-Hydroxy-2,6-Dimethyl-1,4-Heptadien-1-Yl]-2-Methyl-2-Cyclopenten-1-One

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Properties Simple | Detailed

Formula C15H22O3
IUPAC Name (4s,5r)-4-hydroxy-5-[(1z,4e)-6-hydroxy-2,6-dimethyl-hepta-1,4-dienyl]-2-methyl-cyclopent-2-en-1-one
Molecular Mass 250.333 g·mol−1
Heat of Formation -518.7 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 337.8 Å 3
Surface Area 290.26 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyclopenten-1-one, 4-hydroxy-5-[(1z,4e)-6-hydroxy-2,6-dimethyl-1,4-heptadienyl]-2-methyl-, (4s,5r)-
  • litseaverticillol e
InChIKey BYCYEWSQFFBUSU-CYXQZXPYSA-N
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