Torulene

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Properties Simple | Detailed

Formula C40H54
IUPAC Name 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethyl-cyclohexene
Molecular Mass 534.857 g·mol−1
Heat of Formation 293.6 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 779.75 Å 3
Surface Area 691.64 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl)-1,3,3-trimethyl-cyclohexene
  • 2-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl)-1,3,3-trimethylcyclohexene
  • 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethyl-cyclohexene
  • 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethylcyclohexene
  • lmpr01070088
CAS Number(s)
  • 547-23-9
InChIKey AIBOHNYYKWYQMM-MXBSLTGDSA-N
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Elements H C