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ScientificNameLabel
2-methyl-octane
PHCD compound ID : 3882
Chemical Names :
2-methyl-octane
Molecular Formula : C9H20
Molecular Weight : 128.156501
More Details :
Names & Synonyms: 2-methyloctane
Smiles: CCCCCCC(C)C
InChi : InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
InChi Key : InChIKey=ZUBZATZOEPUUQF-UHFFFAOYSA-N
PubChem ID : 18591
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.901753
Hydrogen bond donor count : 0 Electric dipole moment : 0.068
XLogP : 5.4 VDW volume : 164.22032
Molecular weight : 128.156501 HOMO-LUMO gap : 14.805000
Herb list :
Refrences & Litretures:
  
524.      Journal:'J. Essent. Oil Res'      Year:'2011'      Volume:'23'      Page:'1'      DOI:''      Title:'Essential Oil Composition of Hypericum perforatum L. from Cultivated Source'
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