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ScientificNameLabel
neo-Isopulegol
PHCD compound ID : 1111
Chemical Names :
neo-Isopulegol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1S,2S,5R)-2-isopropenyl-5-methyl-cyclohexanol , (1S,2S,5R)-5-methyl-2-(1-methylethenyl)-1-cyclohexanol , (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol , (1S,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol
Smiles: C[C@@H]1CC[C@H]([C@H](C1)O)C(=C)C
InChi : InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
InChi Key : InChIKey=ZYTMANIQRDEHIO-UTLUCORTSA-N
PubChem ID : 6553885
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.832405
Hydrogen bond donor count : 1 Electric dipole moment : 2.086
XLogP : 2.395 VDW volume : 175.313614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.785000
Herb list :
Refrences & Litretures:
  
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
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