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ScientificNameLabel
nonane,3-methyl-5-propyl-
PHCD compound ID : 3019
Chemical Names :
nonane,3-methyl-5-propyl-
Molecular Formula : C13H28
Molecular Weight : 184.219101
More Details :
Names & Synonyms: 3-methyl-5-propyl-nonane , 3-methyl-5-propylnonane
Smiles: CCCC[C@H](C[C@H](CC)C)CCC
InChi : InChI=1S/C13H28/c1-5-8-10-13(9-6-2)11-12(4)7-3/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1
InChi Key : InChIKey=XHJWMVOQYQFTBM-QWHCGFSZSA-N
PubChem ID : 545955
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.588935
Hydrogen bond donor count : 0 Electric dipole moment : 0.071
XLogP : 7.615 VDW volume : 233.404259
Molecular weight : 184.219101 HOMO-LUMO gap : 14.519000
Herb list :
Refrences & Litretures:
  
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
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