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ScientificNameLabel
p-Menthon-3,8-diol
PHCD compound ID : 4631
Chemical Names :
p-Menthon-3,8-diol
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: 2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexanol , 2-(2-hydroxypropan-2-yl)-5-methyl-1-cyclohexanol , 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol , 5-methyl-2-(2-oxidanylpropan-2-yl)cyclohexan-1-ol
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)O)C(O)(C)C
InChi : InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChi Key : InChIKey=LMXFTMYMHGYJEI-IWSPIJDZSA-N
PubChem ID : 556998
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.902147
Hydrogen bond donor count : 2 Electric dipole moment : 3.670
XLogP : 2.308 VDW volume : 186.7403
Molecular weight : 172.14633 HOMO-LUMO gap : 12.395000
Herb list :
Refrences & Litretures:
  
722.      Journal:'Phytochemistry'      Year:'2006'      Volume:'67'      Page:'1249'      DOI:'10.1016/j.phytochem.2006.04.025'      Title:'Biochemical activities of Iranian Mentha piperita L. and Myrtus communis L. essential oils'
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