(2R,3S)-4-Methylene-2-Octyl-5-Oxotetrahydro-3-Furancarboxylic Acid

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Properties Simple | Detailed

Formula C14H22O4
IUPAC Name (2r,3s)-4-methylene-2-octyl-5-oxo-tetrahydrofuran-3-carboxylic acid
Molecular Mass 254.322 g·mol−1
Heat of Formation -819.8 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 329.86 Å 3
Surface Area 313.55 Å 2
HOMO Energy -10.85 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-4-methylene-2-octyl-5-oxo-3-tetrahydrofurancarboxylic acid
  • (2r,3s)-4-methylene-2-octyl-5-oxo-tetrahydrofuran-3-carboxylic acid
  • (2r,3s)-4-methylidene-2-octyl-5-oxo-oxolane-3-carboxylic acid
  • (2r,3s)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
  • (2r,3s)-5-keto-4-methylene-2-octyl-tetrahydrofuran-3-carboxylic acid
  • 3-carboxy-4-octyl-2-methylenebutyrolactone
  • fatty acid synthase inhibitor, c75
  • trans-4-carboxy-5-octyl-3-methylenebutyrolactone
InChIKey VCWLZDVWHQVAJU-NEPJUHHUSA-N
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