Skip Navigation Links
ScientificNameLabel
1,1,2-Trimethyl-cyclohexane
PHCD compound ID : 2695
Chemical Names :
1,1,2-Trimethyl-cyclohexane
Molecular Formula : C9H18
Molecular Weight : 126.140851
More Details :
Names & Synonyms: 1,1,2-trimethylcyclohexane
Smiles: C[C@@H]1CCCCC1(C)C
InChi : InChI=1S/C9H18/c1-8-6-4-5-7-9(8,2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChi Key : InChIKey=MEBONNVPKOBPEA-MRVPVSSYSA-N
PubChem ID : 35363
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.442763
Hydrogen bond donor count : 0 Electric dipole moment : 0.109
XLogP : 5.036 VDW volume : 151.863862
Molecular weight : 126.140851 HOMO-LUMO gap : 14.338000
Herb list :
Refrences & Litretures:
  
312.      Journal:'Talanta'      Year:'2010'      Volume:'81'      Page:'129'      DOI:'10.1016/j.talanta.2009.11.047'      Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us