(S)-2,3-Epoxysqualene

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Properties Simple | Detailed

Formula C30H50O
IUPAC Name (3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
Molecular Mass 426.717 g·mol−1
Heat of Formation -324.1 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 643.26 Å 3
Surface Area 429.91 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
  • (3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
  • (3s)-2,2-dimethyl-3-[(7e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
InChIKey QYIMSPSDBYKPPY-RSKUXYSASA-N
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