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ScientificNameLabel
2-Isopropylcyclohexanol
PHCD compound ID : 219
Chemical Names :
2-Isopropylcyclohexanol
Molecular Formula : C9H18O1
Molecular Weight : 142.135765
More Details :
Names & Synonyms: 2-isopropylcyclohexanol , 2-propan-2-yl-1-cyclohexanol , 2-propan-2-ylcyclohexan-1-ol
Smiles: CC([C@@H]1CCCC[C@@H]1O)C
InChi : InChI=1S/C9H18O/c1-7(2)8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3/t8-,9-/m0/s1
InChi Key : InChIKey=IXVGVVQGNQZQGD-IUCAKERBSA-N
PubChem ID : 95331
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.110343
Hydrogen bond donor count : 1 Electric dipole moment : 1.957
XLogP : 2.703 VDW volume : 160.654088
Molecular weight : 142.135765 HOMO-LUMO gap : 13.345000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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