(2E,4E,6E,10E)-7-(Hydroxymethyl)-3,11,15-Trimethyl-2,4,6,10,14-Hexadecapentaenoic Acid

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Properties Simple | Detailed

Formula C20H30O3
IUPAC Name (2e,4e,6e,10e)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-2,4,6,10,14-pentaenoic acid
Molecular Mass 318.450 g·mol−1
Heat of Formation -559.1 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 444.67 Å 3
Surface Area 341.75 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,10e)-3,11,15-trimethyl-7-methylol-hexadeca-2,4,6,10,14-pentaenoic acid
  • (2e,4e,6e,10e)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-2,4,6,10,14-pentaenoic acid
  • (2e,4e,6e,10e)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,4,6,10,14-pentaenoic acid
  • 2,4,6,10,14-hexadecapentaenoic acid, 7-(hydroxymethyl)-3,11,15-trimethyl-, (all-e)-
  • 7-hydroxyacyclic retinoid
  • 7-hydroxymethyl-3,11,15-trimethyl-2,4,6,10,14-hexadecapentaenoic acid
CAS Number(s)
  • 134678-59-4
InChIKey JQIQGTYSXWVMEE-OCZXDADQSA-N
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