1-[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]-2-Azepanone

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Properties Simple | Detailed

Formula C21H35NO
IUPAC Name 1-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
Molecular Mass 317.509 g·mol−1
Heat of Formation -329.5 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 455.54 Å 3
Surface Area 336.6 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2-azepanone
  • 1-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]azepan-2-one
  • 1-facho
  • 1-farnesylazacycloheptan-2-one
CAS Number(s)
  • 117694-77-6
  • 110261-30-8
InChIKey IGLWKWHEKADLNX-IRVPIMSSSA-N
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