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ScientificNameLabel
iso-isopulegol
PHCD compound ID : 1540
Chemical Names :
iso-isopulegol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1R,2S,5S)-2-isopropenyl-5-methyl-cyclohexanol , (1R,2S,5S)-5-methyl-2-(1-methylethenyl)-1-cyclohexanol , (1R,2S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol , (1R,2S,5S)-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+/m0/s1
InChi Key : InChIKey=ZYTMANIQRDEHIO-LPEHRKFASA-N
PubChem ID : 7057943
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.812736
Hydrogen bond donor count : 1 Electric dipole moment : 1.736
XLogP : 2.395 VDW volume : 175.313614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.810000
Herb list :
Refrences & Litretures:
  
168.      Journal:'European Journal of Experimental Biology'      Year:'2012'      Volume:'2'      Page:'1771'      DOI:''      Title:'Essential oil content and composition of Lippa citriodora as affected by drying method before flowering stages'
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