(3S,7S,11S)-3,7,11,15-Tetramethyl-1-{[(2R)-1-{[(3S,7S,11S)-3,7,11,15-Tetramethylhexadecyl]Oxy}-2-Propanyl]Oxy}Hexadecane

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Properties Simple | Detailed

Formula C43H88O2
IUPAC Name (3s,7s,11s)-3,7,11,15-tetramethyl-1-[(2r)-2-[(3s,7s,11s)-3,7,11,15-tetramethylhexadecoxy]propoxy]hexadecane
Molecular Mass 637.158 g·mol−1
Heat of Formation -1213.0 ± 16.7 kJ·mol−1
Dipole Moment 0.55 ± 1.08 D
Volume 978.21 Å 3
Surface Area 872.32 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,11s)-3,7,11,15-tetramethyl-1-[(1r)-1-methyl-2-[(3s,7s,11s)-3,7,11,15-tetramethylhexadecoxy]ethoxy]hexadecane
  • (3s,7s,11s)-3,7,11,15-tetramethyl-1-[(2r)-1-[(3s,7s,11s)-3,7,11,15-tetramethylhexadecoxy]propan-2-yl]oxy-hexadecane
  • (3s,7s,11s)-3,7,11,15-tetramethyl-1-[(2r)-1-[(3s,7s,11s)-3,7,11,15-tetramethylhexadecoxy]propan-2-yl]oxyhexadecane
  • 1,2-[di-2,6,10,14-tetramethyl-hexadecan-16-oxy]-propane
  • ph1
  • phytanyl moiety
InChIKey ICKFQWWHLUUVMF-FYYCEQFTSA-N
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