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ScientificNameLabel
2-methyldodecane
PHCD compound ID : 3872
Chemical Names :
2-Methyl dodecane , 2-methyldodecane
Molecular Formula : C13H28
Molecular Weight : 184.219101
More Details :
Names & Synonyms: 2-methyldodecane
Smiles: CCCCCCCCCCC(C)C
InChi : InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3
InChi Key : InChIKey=HGEMCUOAMCILCP-UHFFFAOYSA-N
PubChem ID : 15270
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.716274
Hydrogen bond donor count : 0 Electric dipole moment : 0.095
XLogP : 7.676 VDW volume : 233.404259
Molecular weight : 184.219101 HOMO-LUMO gap : 14.568000
Herb list :
Refrences & Litretures:
  
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
526.      Journal:'Comptes Rendus Biologies'      Year:'2002'      Volume:'325'      Page:'781'      DOI:''      Title:'Composition of the essential oils of Hypericum perforatum L. from southeastern France'
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