(2E)-3-Phenyl-2-Propen-1-Yl 3-Methylbutanoate

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Properties Simple | Detailed

Formula C14H18O2
IUPAC Name [(e)-cinnamyl] 3-methylbutanoate
Molecular Mass 218.292 g·mol−1
Heat of Formation -310.4 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 290.82 Å 3
Surface Area 259.33 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid 3-phenyl-2-propenyl ester
  • 3-methylbutanoic acid 3-phenylprop-2-enyl ester
  • 3-methylbutanoic acid [(e)-3-phenylprop-2-enyl] ester
  • 3-methylbutyric acid 3-phenylprop-2-enyl ester
  • 3-methylbutyric acid [(e)-3-phenylprop-2-enyl] ester
  • 3-phenyl-2-propenyl 3-methylbutanoate
  • 3-phenylallyl 3-methylbutanoate
  • 3-phenylallyl isovalerate
  • 3-phenylprop-2-enyl 3-methylbutanoate
  • [(e)-3-phenylprop-2-enyl] 3-methylbutanoate
  • butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester
  • cinnamyl 3-methyl butyrate
  • cinnamyl 3-methylbutanoate
  • cinnamyl isovalerate
  • cinnamyl isovalerianate
  • isovaleric acid, cinnamyl ester
  • isovaleric acid, cinnamyl ester (6ci,7ci,8ci)
  • trans-cinnamyl isovalerate
CAS Number(s)
  • 140-27-2
InChIKey FOCMOGKCPPTERB-RMKNXTFCSA-N
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