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ScientificNameLabel
E-Hexadecen-6-yne
PHCD compound ID : 3105
Chemical Names :
E-Hexadecen-6-yne
Molecular Formula : C16H28
Molecular Weight : 220.219101
More Details :
Names & Synonyms: (E)-hexadec-4-en-6-yne
Smiles: CCCCCCCCCC#C/C=C/CCC
InChi : InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h7,9H,3-6,8,10,12,14-16H2,1-2H3/b9-7+
InChi Key : InChIKey=XZDCEQPWFZIZPQ-VQHVLOKHSA-N
PubChem ID : 5365640
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.158295
Hydrogen bond donor count : 0 Electric dipole moment : 0.433
XLogP : 8.12 VDW volume : 277.382837
Molecular weight : 220.219101 HOMO-LUMO gap : 9.583000
Herb list :
Refrences & Litretures:
  
410.      Journal:'Food Chemistry'      Year:'2009'      Volume:'115'      Page:'1114'      DOI:'10.1016/j.foodchem.2008.12.091'      Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
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