(5Z)-7-[(4S,5R)-2,2-Dimethyl-4-Phenyl-1,3-Dioxan-5-Yl]-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C19H26O4
IUPAC Name (z)-7-[(4s,5r)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-5-enoic acid
Molecular Mass 318.407 g·mol−1
Heat of Formation -740.0 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 407.43 Å 3
Surface Area 323.28 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(4s,5r)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-5-enoic acid
  • 5-heptenoic acid, 7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-, (4alpha,5alpha(z))-
  • 7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid
  • 7-ddpdha
CAS Number(s)
  • 104693-32-5
InChIKey NCTKBYPUWBMEBQ-CDITXYPMSA-N
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