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ScientificNameLabel
iso-Menthone(2-ethyl)
PHCD compound ID : 1369
Chemical Names :
iso-Menthone(2-ethyl)
Molecular Formula : C12H22O1
Molecular Weight : 182.167065
More Details :
Names & Synonyms: (3S,6S)-2-ethyl-6-isopropyl-3-methyl-cyclohexanone , (3S,6S)-2-ethyl-3-methyl-6-propan-2-yl-1-cyclohexanone , (3S,6S)-2-ethyl-3-methyl-6-propan-2-ylcyclohexan-1-one , (3S,6S)-2-ethyl-3-methyl-6-propan-2-yl-cyclohexan-1-one
Smiles: CC[C@H]1[C@@H](C)CC[C@H](C1=O)C(C)C
InChi : InChI=1S/C12H22O/c1-5-10-9(4)6-7-11(8(2)3)12(10)13/h8-11H,5-7H2,1-4H3/t9-,10-,11-/m0/s1
InChi Key : InChIKey=VXGVKPGULBZBOZ-DCAQKATOSA-N
PubChem ID : 91749820
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.585201
Hydrogen bond donor count : 0 Electric dipole moment : 2.992
XLogP : 3.66 VDW volume : 209.905584
Molecular weight : 182.167065 HOMO-LUMO gap : 10.686000
Herb list :
Refrences & Litretures:
  
145.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'645'      DOI:'10.1080/0972060X.2012.10644099'      Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
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