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6(E),8(E)-Heptadecadiene
PHCD compound ID : 4305
Chemical Names :
6(E),8(E)-Heptadecadiene
Molecular Formula : C17H32
Molecular Weight : 236.250401
More Details :
Names & Synonyms: (6E,8E)-heptadeca-6,8-diene
Smiles: CCCCCCCC/C=C/C=C/CCCCC
InChi : InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h11,13,15,17H,3-10,12,14,16H2,1-2H3/b13-11+,17-15+
InChi Key : InChIKey=JDQICSQQNYKNLY-SBLPRGNDSA-N
PubChem ID : 91753615
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 8.927141
Hydrogen bond donor count : 0 Electric dipole moment : 0.539
XLogP : 9.053 VDW volume : 297.31528
Molecular weight : 236.250401 HOMO-LUMO gap : 9.389000
Herb list :
Refrences & Litretures:
  
627.      Journal:'Chemistry of Natural Compounds'      Year:'2015'      Volume:'51'      Page:'171'      DOI:'10.1007/s10600-015-1233-8'      Title:'CHEMICAL COMPOSITION OF THE ALIPHATIC COMPOUND-RICH ESSENTIAL OIL OF Rosa foetida FROM IRAN'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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