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ScientificNameLabel
Delta-Elememe
PHCD compound ID : 1272
Chemical Names :
Delta-Elememe
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 3-isopropenyl-1-isopropyl-4-methyl-4-vinyl-cyclohexene , 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-propan-2-ylcyclohexene , 4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene , 4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-yl-cyclohexene
Smiles: C=C[C@@]1(C)CCC(=C[C@@H]1C(=C)C)C(C)C
InChi : InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1
InChi Key : InChIKey=MXDMETWAEGIFOE-CABCVRRESA-N
PubChem ID : 89316
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.141473
Hydrogen bond donor count : 0 Electric dipole moment : 0.946
XLogP : 5.926 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.250000
Herb list :
Refrences & Litretures:
  
134.      Journal:'Asian J. Chem'      Year:'2012'      Volume:'24'      Page:'4817'      DOI:''      Title:'Study of the Essential Oil Composition of Lallemantia iberica (M. Bieb.) Fisch. and C.A. Mey. (Lamiaceae) from Turkey'
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