8-{(1S,5S)-4-Oxo-5-[(2Z)-2-Penten-1-Yl]-2-Cyclopenten-1-Yl}Octanoic Acid

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Properties Simple | Detailed

Formula C18H28O3
IUPAC Name 8-[(1s,5s)-4-oxo-5-[(z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
Molecular Mass 292.413 g·mol−1
Heat of Formation -621.1 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 399.21 Å 3
Surface Area 366.76 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (15z)-12-oxophyto-10,15-dienoate
  • (15z)-12-oxophyto-10,15-dienoic acid
  • (9s,13s)-12-oxophytodienoic acid
  • (9s,13s,15z)-12-oxo-10,15-phytodienoic acid
  • 12-opda
  • 12-oxo-10,15(z)-phytodienoic acid
  • 12-oxo-cis-10,15-phytodienoate
  • 2-cyclopentene-1-octanoic acid, 4-oxo-5-(2-pentenyl)-, [1s-[1alpha,5alpha(z)]]-
  • 2-cyclopentene-1-octanoic acid, 4-oxo-5-[(2z)-2-pentenyl]-, (1s,5s)-
  • 8-(2-(cis-2'-pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid
  • 8-[(1s,5s)-4-keto-5-[(z)-pent-2-enyl]-1-cyclopent-2-enyl]caprylic acid
  • 8-[(1s,5s)-4-oxo-5-[(z)-pent-2-enyl]-1-cyclopent-2-enyl]octanoic acid
  • 8-{(1s,5s)-4-oxo-5-[(2z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid
  • 9(s),13(s)-12-oxo-pda
  • acon1_001835
  • cmc_13962
  • cmc_7397
  • megxp0_001329
  • o-phytodienoic acid
CAS Number(s)
  • 85551-10-6
InChIKey PMTMAFAPLCGXGK-JMTMCXQRSA-N
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