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ScientificNameLabel
Elixene
PHCD compound ID : 4128
Chemical Names :
Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene) , Elixene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 2-isopropenyl-4-isopropylidene-1-methyl-1-vinyl-cyclohexane , 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-propan-2-ylidenecyclohexane , 1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane , 1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-yl-cyclohexane
Smiles: C=C[C@@]1(C)CCC(=C(C)C)C[C@H]1C(=C)C
InChi : InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15-/m0/s1
InChi Key : InChIKey=BQSLMQNYHVFRDT-GJZGRUSLSA-N
PubChem ID : 94254
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.876378
Hydrogen bond donor count : 0 Electric dipole moment : 1.242
XLogP : 5.479 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.084000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
660.      Journal:'Journal of Chromatography A'      Year:'2007'      Volume:'1150'      Page:'50'      DOI:'10.1016/j.chroma.2006.08.080'      Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
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