(5Z)-7-{(1R,2S,3S,4S)-3-[(Hexyloxy)Methyl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-2,2-Dimethyl-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C22H38O4
IUPAC Name (z)-7-[(1r,2s,3s,4s)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,2-dimethyl-hept-5-enoic acid
Molecular Mass 366.535 g·mol−1
Heat of Formation -927.8 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 491.62 Å 3
Surface Area 411.39 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 3.98 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1alpha,2alpha(z),3alpha,4alpha))-7-(3-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-2,2-dimethyl-5-heptenoic acid
  • (z)-7-[(1r,4s,5s,6s)-5-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-6-yl]-2,2-dimethyl-hept-5-enoic acid
  • 1-(2,2-dimethylhept-5-eno-7-yl)-2-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)heptane
  • 5-heptenoic acid, 7-(3-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-2,2-dimethyl-, (1r-(1alpha,2alpha(z),3alpha,4alpha))-
  • 7-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl-2,2-dimethyl-5-heptenoic acid
  • 7-obhp
  • sq 29,535
CAS Number(s)
  • 104162-13-2
InChIKey ZKHRYLFRJMMUEU-KNKJJNPESA-N
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