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ScientificNameLabel
Neo-menthol
PHCD compound ID : 1901
Chemical Names :
Neo-menthol
Molecular Formula : C10H20O1
Molecular Weight : 156.151415
More Details :
Names & Synonyms: (1S,2S,5R)-2-isopropyl-5-methyl-cyclohexanol , (1S,2S,5R)-5-methyl-2-propan-2-yl-1-cyclohexanol , (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol , (1S,2S,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-UTLUCORTSA-N
PubChem ID : 439263
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.128285
Hydrogen bond donor count : 1 Electric dipole moment : 2.019
XLogP : 3.211 VDW volume : 177.950073
Molecular weight : 156.151415 HOMO-LUMO gap : 13.345000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
644.      Journal:'Int. J. Biosci'      Year:'2015'      Volume:'6'      Page:'156'      DOI:''      Title:'Essential oil constituents and fatty acids in Echium amoenum grown wild in Iran'
754.      Journal:'Advanced Herbal Medicine'      Year:'2015'      Volume:'1'      Page:'21'      DOI:''      Title:'The essential oil composition of wild celery (Kelussia odoratissima Mozaff.): An Iranian endemic plant'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
932.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'91'      DOI:'10.1007/s10600-009-9244-y'      Title:'Composition of essential oils of Viola tricolor and V. arvensis from Romania'
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