1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-Hexacosatridecaene-1,26-Diyl]Bis(2,6,6-Trimethylcyclohexene)

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Properties Simple | Detailed

Formula C50H68
IUPAC Name 1-(2-cyclopropyl-3-methylene-hex-1-en-4-ynylidene)-2-prop-1-ynyl-cyclopropane; 5-methyl-6-[2-(2-prop-1-ynylcyclopropen-1-yl)ethynyl]bicyclo[5.1.0]octa-1(7),3,5-triene
Molecular Mass 669.075 g·mol−1
Heat of Formation 284.6 ± 16.7 kJ·mol−1
Dipole Moment 0.69 ± 1.08 D
Volume 974.34 Å 3
Surface Area 831.8 Å 2
HOMO Energy -7.82 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C2
Synonyms
  • 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e,23e,25e)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethyl-1-cyclohexenyl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethyl-cyclohexene
  • 2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e,23e,25e)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethyl-1-cyclohexenyl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethylcyclohexene
  • cyclohexene, 1,1'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis(2,6,6-trimethyl-, (all-e)-
  • decapreno-beta-carotene
CAS Number(s)
  • 5940-03-4
InChIKey ODEVCWAIAJCZRJ-MGJPSJOXSA-N
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