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ScientificNameLabel
Geyrene
PHCD compound ID : 3135
Chemical Names :
Geyrene
Molecular Formula : C12H18
Molecular Weight : 162.140851
More Details :
Names & Synonyms: 3-isopropenyl-4-methyl-4-vinyl-cyclohexene , 4-ethenyl-4-methyl-3-(1-methylethenyl)cyclohexene , 4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene , 4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexene
Smiles: C=C[C@@]1(C)CCC=C[C@@H]1C(=C)C
InChi : InChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8,11H,1-2,7,9H2,3-4H3/t11-,12+/m1/s1
InChi Key : InChIKey=BGDQCKOAZKTOFV-NEPJUHHUSA-N
PubChem ID : 12310053
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.377023
Hydrogen bond donor count : 0 Electric dipole moment : 0.802
XLogP : 4.896 VDW volume : 195.842439
Molecular weight : 162.140851 HOMO-LUMO gap : 10.440000
Herb list :
Refrences & Litretures:
  
427.      Journal:'Food Chemistry'      Year:'2013'      Volume:'141'      Page:'253'      DOI:'10.1016/j.foodchem.2013.03.007'      Title:'Chemical composition and antimicrobial activity of the essential oils from four Ruta species growing in Algeria'
428.      Journal:'World Appl. Sci. J'      Year:'2009'      Volume:'7'      Page:'124'      DOI:''      Title:'Volatile Composition of Ruta graveolens L. of North of Iran'
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