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ScientificNameLabel
Neoisomenthol
PHCD compound ID : 165
Chemical Names :
Neoisomenthol , neoiso-Menthol
Molecular Formula : C10H20O1
Molecular Weight : 156.151415
More Details :
Names & Synonyms: (1R,2R,5R)-2-isopropyl-5-methyl-cyclohexanol , (1R,2R,5R)-5-methyl-2-propan-2-yl-1-cyclohexanol , (1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol , (1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
Smiles: C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C
InChi : InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChi Key : InChIKey=NOOLISFMXDJSKH-OPRDCNLKSA-N
PubChem ID : 19244
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.034748
Hydrogen bond donor count : 1 Electric dipole moment : 1.973
XLogP : 3.211 VDW volume : 177.950073
Molecular weight : 156.151415 HOMO-LUMO gap : 13.328000
Herb list :
Refrences & Litretures:
  
9.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'1072'      DOI:'10.1016/j.foodchem.2008.07.015'      Title:'Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: Comparison of three different extraction methods'
227.      Journal:'World J Microbiol Biotechnol'      Year:'2009'      Volume:'25'      Page:'2227'      DOI:'10.1007/s11274-009-0130-3'      Title:'Biological activities of the essential oils and methanol extract of tow cultivated mint species (Mentha longifolia and Mentha pulegium) used in the Tunisian folkloric medicine'
296.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'233'      DOI:'10.3390/molecules15010233'      Title:'Determination of the Volatile Composition in Essential Oil of Descurainia sophia (L.) Webb ex Prantl (Flixweed) by Gas Chromatography/Mass Spectrometry (GC/MS)'
720.      Journal:'food and bioproducts processing'      Year:'2015'      Volume:'94'      Page:'50'      DOI:'10.1016/j.fbp.2015.01.003'      Title:'Extraction of essential oils from Mentha piperitausing advanced techniques: Microwave versusohmic assisted hydrodistillation'
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