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ScientificNameLabel
p-Diisopropyl-benzene
PHCD compound ID : 2119
Chemical Names :
p-Diisopropyl-benzene
Molecular Formula : C12H18
Molecular Weight : 162.140851
More Details :
Names & Synonyms: 1,4-diisopropylbenzene , 1,4-di(propan-2-yl)benzene
Smiles: CC(c1ccc(cc1)C(C)C)C
InChi : InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChi Key : InChIKey=SPPWGCYEYAMHDT-UHFFFAOYSA-N
PubChem ID : 7486
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.109339
Hydrogen bond donor count : 0 Electric dipole moment : 0.000
XLogP : 4.802 VDW volume : 184.942439
Molecular weight : 162.140851 HOMO-LUMO gap : 9.558000
Herb list :
Refrences & Litretures:
  
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
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