Methyl 4-[(1E,3E,6E,9E)-1,3,6,9-Pentadecatetraen-1-Ylsulfanyl]Butanoate

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Properties Simple | Detailed

Formula C20H32O2S
IUPAC Name methyl 4-[(1e,3e,6e,9e)-pentadeca-1,3,6,9-tetraenyl]sulfanylbutanoate
Molecular Mass 336.532 g·mol−1
Heat of Formation -358.8 ± 16.7 kJ·mol−1
Dipole Moment 0.54 ± 1.08 D
Volume 480.09 Å 3
Surface Area 381.48 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1e,3e,6e,9e)-pentadeca-1,3,6,9-tetraenyl]thio]butanoic acid methyl ester
  • 4-[[(1e,3e,6e,9e)-pentadeca-1,3,6,9-tetraenyl]thio]butyric acid methyl ester
  • methyl 4-[(1e,3e,6e,9e)-pentadeca-1,3,6,9-tetraenyl]sulfanylbutanoate
CAS Number(s)
  • 125197-83-3
InChIKey BJKGFAXUOWQOOJ-CUAJQTIESA-N
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