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ScientificNameLabel
1-(Cyclohexylmethyl)-4-isopropylcyclohexane
PHCD compound ID : 248
Chemical Names :
1-(Cyclohexylmethyl)-4-isopropylcyclohexane
Molecular Formula : C16H30
Molecular Weight : 222.234751
More Details :
Names & Synonyms: 1-(cyclohexylmethyl)-4-isopropyl-cyclohexane , 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane , 1-(cyclohexylmethyl)-4-propan-2-yl-cyclohexane
Smiles: CC([C@@H]1CC[C@H](CC1)CC1CCCCC1)C
InChi : InChI=1S/C16H30/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h13-16H,3-12H2,1-2H3/t15-,16-
InChi Key : InChIKey=LHWJKUKEUOFSME-WKILWMFISA-N
PubChem ID : 41262
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.318248
Hydrogen bond donor count : 0 Electric dipole moment : 0.136
XLogP : 8.52 VDW volume : 260.579295
Molecular weight : 222.234751 HOMO-LUMO gap : 14.107000
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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