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(E,E)-Pseudoionone
PHCD compound ID : 3950
Chemical Names :
(E,E)-Pseudoionone
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one , (3E,5E)-6,10-dimethyl-2-undeca-3,5,9-trienone
Smiles: C/C(=C\C=C\C(=O)C)/CCC=C(C)C
InChi : InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChi Key : InChIKey=JXJIQCXXJGRKRJ-KOOBJXAQSA-N
PubChem ID : 1757003
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.165708
Hydrogen bond donor count : 0 Electric dipole moment : 3.657
XLogP : 3.576 VDW volume : 231.648651
Molecular weight : 192.151415 HOMO-LUMO gap : 8.738000
Herb list :
Refrences & Litretures:
  
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
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