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ScientificNameLabel
isomentol
PHCD compound ID : 1139
Chemical Names :
isomentol
Molecular Formula : C10H20O1
Molecular Weight : 156.151415
More Details :
Names & Synonyms: (1R,2S,5S)-2-isopropyl-5-methyl-cyclohexanol , (1R,2S,5S)-5-methyl-2-propan-2-yl-1-cyclohexanol , (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol , (1R,2S,5S)-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+/m0/s1
InChi Key : InChIKey=NOOLISFMXDJSKH-LPEHRKFASA-N
PubChem ID : 6432468
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.103900
Hydrogen bond donor count : 1 Electric dipole moment : 1.971
XLogP : 3.211 VDW volume : 177.950073
Molecular weight : 156.151415 HOMO-LUMO gap : 13.107000
Herb list :
Refrences & Litretures:
  
117.      Journal:'Rev. Bras. Farmacogn. Braz. J. Pharmacogn'      Year:'2012'      Volume:'22'      Page:'40'      DOI:'10.1590/S0102-695X2011005000186'      Title:'Organic and mineral fertilization and chemical composition of lemon balm (Melissa off cinalis) essential oil'
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