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ScientificNameLabel
4-Methylundecane
PHCD compound ID : 5441
Chemical Names :
4-Methylundecane
Molecular Formula : C12H26
Molecular Weight : 170.203451
More Details :
Names & Synonyms: 4-methylundecane
Smiles: CCCCCCC[C@@H](CCC)C
InChi : InChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3/t12-/m1/s1
InChi Key : InChIKey=KNMXZGDUJVOTOC-GFCCVEGCSA-N
PubChem ID : 520454
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.762260
Hydrogen bond donor count : 0 Electric dipole moment : 0.106
XLogP : 7.107 VDW volume : 216.108274
Molecular weight : 170.203451 HOMO-LUMO gap : 14.630000
Herb list :
Refrences & Litretures:
  
903.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'646'      DOI:'10.1007/s10600-011-0020-4'      Title:'Constituent composition of essential oil from Cornus mas flowers'
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