Skip Navigation Links
ScientificNameLabel
Isomenthyl acetate
PHCD compound ID : 973
Chemical Names :
Isomenthyl acetate
Molecular Formula : C12H22O2
Molecular Weight : 198.16198
More Details :
Names & Synonyms: [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate , acetic acid [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester , [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate , [(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate , acetic acid [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester
Smiles: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C)C(C)C
InChi : InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+/m1/s1
InChi Key : InChIKey=XHXUANMFYXWVNG-JLLWLGSASA-N
PubChem ID : 6432225
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.375484
Hydrogen bond donor count : 0 Electric dipole moment : 2.096
XLogP : 3.951 VDW volume : 218.69581
Molecular weight : 198.16198 HOMO-LUMO gap : 11.643000
Herb list :
Refrences & Litretures:
  
94.      Journal:'Journal de Mycologie Médicale'      Year:'2012'      Volume:'22'      Page:'308'      DOI:'10.1016/j.mycmed.2012.09.003'      Title:'Chemical composition and antifungal activity of Matricaria recutita ?ower essential oil against medically important dermatophytes and soil-borne pathogens'
721.      Journal:'ISRN Pharmaceutics'      Year:'2012'      Volume:'2012'      Page:'1'      DOI:'10.5402/2012/718645'      Title:'Chemical Composition, Antifungal and Antibiofilm Activities of the Essential Oil of Mentha piperita L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us