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(Z,E)-4,6,8-Megastigmatriene
PHCD compound ID : 1971
Chemical Names :
(Z,E)-4,6,8-Megastigmatriene
Molecular Formula : C13H20
Molecular Weight : 176.156501
More Details :
Names & Synonyms: (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethyl-cyclohexene , (6Z)-6-[(Z)-but-2-enylidene]-1,5,5-trimethylcyclohexene
Smiles: C/C=C\C=C\1/C(=CCCC1(C)C)C
InChi : InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5-,12-9+
InChi Key : InChIKey=BYDQKMZEOZVIJM-ZCRLHDOISA-N
PubChem ID : 91753566
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.670066
Hydrogen bond donor count : 0 Electric dipole moment : 0.574
XLogP : 5.417 VDW volume : 213.138424
Molecular weight : 176.156501 HOMO-LUMO gap : 9.163000
Herb list :
Refrences & Litretures:
  
233.      Journal:'Arabian Journal of Chemistry'      Year:'2013'      Volume:''      Page:''      DOI:'10.1016/j.arabjc.2013.08.015'      Title:'Chemical composition analysis of the essential oil of Solanumn nigrum L. by HS/SPME method and calculation of the biochemical coe?cients of the components'
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