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ScientificNameLabel
(E)-4-(1-hydroperoxy-2-2-dimethyl-6-methyllidene-cyclohexyl)pent-3-en-2-one
PHCD compound ID : 1899
Chemical Names :
(E)-4-(1-hydroperoxy-2-2-dimethyl-6-methyllidene-cyclohexyl)pent-3-en-2-one
Molecular Formula : C14H22O3
Molecular Weight : 238.156895
More Details :
Names & Synonyms: (E)-4-(1-hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)pent-3-en-2-one , (E)-4-(1-hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-3-penten-2-one , (E)-4-(1-hydroperoxy-2,2-dimethyl-6-methylidenecyclohexyl)pent-3-en-2-one , (E)-4-[1-(dioxidanyl)-2,2-dimethyl-6-methylidene-cyclohexyl]pent-3-en-2-one
Smiles: OO[C@@]1(/C(=C/C(=O)C)/C)C(=C)CCCC1(C)C
InChi : InChI=1S/C14H22O3/c1-10-7-6-8-13(4,5)14(10,17-16)11(2)9-12(3)15/h9,16H,1,6-8H2,2-5H3/b11-9+/t14-/m1/s1
InChi Key : InChIKey=ABKYIBLLJAHNQO-CFRMROPGSA-N
PubChem ID : 5363415
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.739537
Hydrogen bond donor count : 1 Electric dipole moment : 4.668
XLogP : 1.67 VDW volume : 256.805089
Molecular weight : 238.156895 HOMO-LUMO gap : 9.866000
Herb list :
Refrences & Litretures:
  
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
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