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ScientificNameLabel
4-Methylpentylcyclohexane
PHCD compound ID : 4480
Chemical Names :
4-Methylpentylcyclohexane
Molecular Formula : C12H24
Molecular Weight : 168.187801
More Details :
Names & Synonyms: isohexylcyclohexane , 4-methylpentylcyclohexane
Smiles: CC(CCCC1CCCCC1)C
InChi : InChI=1S/C12H24/c1-11(2)7-6-10-12-8-4-3-5-9-12/h11-12H,3-10H2,1-2H3
InChi Key : InChIKey=NJXSECGEAKMKOX-UHFFFAOYSA-N
PubChem ID : 557915
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.495435
Hydrogen bond donor count : 0 Electric dipole moment : 0.045
XLogP : 6.706 VDW volume : 203.751816
Molecular weight : 168.187801 HOMO-LUMO gap : 14.378000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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