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ScientificNameLabel
(3E)-Octadecene
PHCD compound ID : 4325
Chemical Names :
(3E)-Octadecene
Molecular Formula : C18H36
Molecular Weight : 252.281701
More Details :
Names & Synonyms: (E)-octadec-3-ene , (E)-3-octadecene
Smiles: CCCCCCCCCCCCCC/C=C/CC
InChi : InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+
InChi Key : InChIKey=OCKCCFAPMYQFLZ-FNORWQNLSA-N
PubChem ID : 5365984
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 9.589875
Hydrogen bond donor count : 0 Electric dipole moment : 0.017
XLogP : 10.066 VDW volume : 317.247723
Molecular weight : 252.281701 HOMO-LUMO gap : 10.840000
Herb list :
Refrences & Litretures:
  
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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