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ScientificNameLabel
Undecane,5-methyl-
PHCD compound ID : 3880
Chemical Names :
Undecane,5-methyl-
Molecular Formula : C12H26
Molecular Weight : 170.203451
More Details :
Names & Synonyms: 5-methylundecane
Smiles: CCCCCC[C@@H](CCCC)C
InChi : InChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3/t12-/m1/s1
InChi Key : InChIKey=QULNVKABFWNUCW-GFCCVEGCSA-N
PubChem ID : 94213
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.714937
Hydrogen bond donor count : 0 Electric dipole moment : 0.099
XLogP : 7.107 VDW volume : 216.108274
Molecular weight : 170.203451 HOMO-LUMO gap : 14.565000
Herb list :
Refrences & Litretures:
  
523.      Journal:'Pharm Biol'      Year:'2014'      Volume:'52'      Page:'175'      DOI:'10.3109/13880209.2013.821663'      Title:'Chemical composition and bioactivity of essential oils of Hypericum helianthemoides, Hypericum perforatum and Hypericum scabrum'
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