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ScientificNameLabel
iso menthone
PHCD compound ID : 5364
Chemical Names :
iso menthone
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (2S,5S)-2-isopropyl-5-methyl-cyclohexanone , (2S,5S)-5-methyl-2-propan-2-yl-1-cyclohexanone , (2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one , (2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one , (2S,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-one
Smiles: C[C@H]1CC[C@H](C(=O)C1)C(C)C
InChi : InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChi Key : InChIKey=NFLGAXVYCFJBMK-IUCAKERBSA-N
PubChem ID : 6432469
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.742970
Hydrogen bond donor count : 0 Electric dipole moment : 3.466
XLogP : 2.798 VDW volume : 175.313614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.763000
Herb list :
Refrences & Litretures:
  
880.      Journal:'Phytother. Res'      Year:'2013'      Volume:'27'      Page:'1206'      DOI:'10.1002/ptr.4853'      Title:'Chemical composition and biological activities of polar extracts and essential oil of rose-scented geranium, Pelargonium graveolens'
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