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(E)-Cadina-1(6),4-diene
PHCD compound ID : 953
Chemical Names :
(E)-Cadina-1(6),4-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4R)-1-isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene , (1S,4R)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
Smiles: CC1=CC2=C(CC1)[C@H](C)CC[C@H]2C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-13H,5-8H2,1-4H3/t12-,13+/m1/s1
InChi Key : InChIKey=ULTBCADWJVQRCF-OLZOCXBDSA-N
PubChem ID : 15694803
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.211156
Hydrogen bond donor count : 0 Electric dipole moment : 0.713
XLogP : 5.643 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 8.968000
Herb list :
Refrences & Litretures:
  
79.      Journal:'Chemistry of Natural Compounds'      Year:'2010'      Volume:'46'      Page:'310'      DOI:''      Title:'COMPOSITION OF ESSENTIAL OILS OF LEAVES, STEMS, AND ROOTS OF Thymus kotschyanus VAR. pseuderiophorus GROWING WILD IN IRAN'
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