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ScientificNameLabel
2-Methyl-3,5-dodecadiene
PHCD compound ID : 2694
Chemical Names :
2-Methyl-3,5-dodecadiene
Molecular Formula : C13H24
Molecular Weight : 180.187801
More Details :
Names & Synonyms: (3E,5E)-2-methyldodeca-3,5-diene
Smiles: CCCCCC/C=C/C=C/C(C)C
InChi : InChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+
InChi Key : InChIKey=HULVBFBDOCMWOT-HULFFUFUSA-N
PubChem ID : 5368943
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.878415
Hydrogen bond donor count : 0 Electric dipole moment : 0.089
XLogP : 6.712 VDW volume : 228.131341
Molecular weight : 180.187801 HOMO-LUMO gap : 9.244000
Herb list :
Refrences & Litretures:
  
312.      Journal:'Talanta'      Year:'2010'      Volume:'81'      Page:'129'      DOI:'10.1016/j.talanta.2009.11.047'      Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
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