4-[(3R,4S)-4-(4-Oxocyclohexyl)-3-Hexanyl]Cyclohexanone

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Properties Simple | Detailed

Formula C18H30O2
IUPAC Name 4-[(1r,2s)-1-ethyl-2-(4-oxocyclohexyl)butyl]cyclohexanone
Molecular Mass 278.430 g·mol−1
Heat of Formation -563.0 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 380.15 Å 3
Surface Area 312.87 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(cyclohexanone)
  • 4-[(1r,2s)-1-ethyl-2-(4-ketocyclohexyl)butyl]cyclohexan-1-one
  • 4-[(1r,2s)-1-ethyl-2-(4-oxocyclohexyl)butyl]-1-cyclohexanone
  • 4-[(1r,2s)-1-ethyl-2-(4-oxocyclohexyl)butyl]cyclohexan-1-one
  • 4-[(3r,4s)-4-(4-oxocyclohexyl)hexan-3-yl]cyclohexan-1-one
  • cyclohexanone, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (r*,s*)-
  • perhydrodiketohexestrol
CAS Number(s)
  • 20519-71-5
InChIKey PDJCYKNESXITTF-HDICACEKSA-N
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