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1,2-Diisopropylbenzene
PHCD compound ID : 3304
Chemical Names :
1,2-Diisopropylbenzene
Molecular Formula : C12H18
Molecular Weight : 162.140851
More Details :
Names & Synonyms: 1,2-diisopropylbenzene , 1,2-di(propan-2-yl)benzene
Smiles: CC(c1ccccc1C(C)C)C
InChi : InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3
InChi Key : InChIKey=OKIRBHVFJGXOIS-UHFFFAOYSA-N
PubChem ID : 11345
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.218170
Hydrogen bond donor count : 0 Electric dipole moment : 0.767
XLogP : 4.802 VDW volume : 184.942439
Molecular weight : 162.140851 HOMO-LUMO gap : 9.691000
Herb list :
Refrences & Litretures:
  
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
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