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4,4-dipropylheptane
PHCD compound ID : 4388
Chemical Names :
4,4-dipropylheptane
Molecular Formula : C13H28
Molecular Weight : 184.219101
More Details :
Names & Synonyms: 4,4-dipropylheptane
Smiles: CCCC(CCC)(CCC)CCC
InChi : InChI=1S/C13H28/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3
InChi Key : InChIKey=ULEPZYFBCDJENO-UHFFFAOYSA-N
PubChem ID : 519401
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.583338
Hydrogen bond donor count : 0 Electric dipole moment : 0.005
XLogP : 7.713 VDW volume : 233.404259
Molecular weight : 184.219101 HOMO-LUMO gap : 14.546000
Herb list :
Refrences & Litretures:
  
652.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2015'      Volume:'6'      Page:'125'      DOI:''      Title:'Volatile Oil Composition of Carthamus Tinctorius L the Flowers Grown in Kazakhstan'
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