7-[(3R,4R)-4-Octyltetrahydro-3-Thiophenyl]Heptanoic Acid

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Properties Simple | Detailed

Formula C19H36O2S
IUPAC Name 7-[(3r,4r)-4-octyltetrahydrothiophen-3-yl]heptanoic acid
Molecular Mass 328.553 g·mol−1
Heat of Formation -721.7 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 462.03 Å 3
Surface Area 427.99 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 10-thiaprostanoic acid
  • 3-thiopheneheptanoic acid, tetrahydro-4-octyl-, (3r-trans)-
  • 7-[(3r,4r)-4-octyl-3-tetrahydrothiophenyl]heptanoic acid
  • 7-[(3r,4r)-4-octyltetrahydrothiophen-3-yl]enanthic acid
  • 7-[(3r,4r)-4-octyltetrahydrothiophen-3-yl]heptanoic acid
  • 7-[(3r,4r)-4-octylthiolan-3-yl]heptanoic acid
CAS Number(s)
  • 118916-25-9
InChIKey FMASGJQNTVAHSF-ROUUACIJSA-N
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