Methyl (2E,3S,4S,5E)-4-Methoxy-2-(Methoxymethylene)-6-(4-Methoxyphenyl)-3-Methyl-5-Hexenoate

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Properties Simple | Detailed

Formula C18H24O5
IUPAC Name methyl (e,2e,3s,4s)-4-methoxy-2-(methoxymethylene)-6-(4-methoxyphenyl)-3-methyl-hex-5-enoate
Molecular Mass 320.380 g·mol−1
Heat of Formation -705.8 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 407.62 Å 3
Surface Area 349.16 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (e,2e,3s,4s)-4-methoxy-2-(methoxymethylene)-6-(4-methoxyphenyl)-3-methyl-hex-5-enoic acid methyl ester
  • (e,2e,3s,4s)-4-methoxy-2-(methoxymethylene)-6-(4-methoxyphenyl)-3-methylhex-5-enoic acid methyl ester
  • 5-hexenoic acid, 4-methoxy-2-(methoxymethylene)-6-(4-methoxyphenyl)-3-methyl-, methyl ester, (s-(r*,r*-(e,e)))-
  • methyl (e,2e,3s,4s)-4-methoxy-2-(methoxymethylene)-6-(4-methoxyphenyl)-3-methyl-hex-5-enoate
  • methyl (e,2e,3s,4s)-4-methoxy-2-(methoxymethylidene)-6-(4-methoxyphenyl)-3-methyl-hex-5-enoate
  • methyl (e,2e,3s,4s)-4-methoxy-2-(methoxymethylidene)-6-(4-methoxyphenyl)-3-methylhex-5-enoate
  • oudemansin x
CAS Number(s)
  • 130640-32-3
InChIKey PGQAMCDKTUKRQA-JDKRGPGZSA-N
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