2-(2-(3,4-Dihydro-6-Methoxy-1(2H)-Naphthylidene)Ethyl)-2-Ethylcyclopentane-1,3-Dione

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Properties Simple | Detailed

Formula C20H24O3
IUPAC Name 2-ethyl-2-[(2z)-2-(6-methoxytetralin-1-ylidene)ethyl]cyclopentane-1,3-dione
Molecular Mass 312.403 g·mol−1
Heat of Formation -460.6 ± 16.7 kJ·mol−1
Dipole Moment 0.54 ± 1.08 D
Volume 391.29 Å 3
Surface Area 334.4 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ethyl-2-[(2z)-2-(6-methoxy-1-tetralinylidene)ethyl]cyclopentane-1,3-dione
  • 2-ethyl-2-[(2z)-2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione
  • 2-ethyl-2-[(2z)-2-(6-methoxytetralin-1-ylidene)ethyl]cyclopentane-1,3-dione
  • 2-ethyl-2-[(2z)-2-(6-methoxytetralin-1-ylidene)ethyl]cyclopentane-1,3-quinone
CAS Number(s)
  • 850-92-0
InChIKey OMXFYKCGCDGYNC-KAMYIIQDSA-N
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