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ScientificNameLabel
7-Isopropyl-7-methyl-nona-3.5-diene-2.8-dione
PHCD compound ID : 3716
Chemical Names :
7-Isopropyl-7-methyl-nona-3.5-diene-2.8-dione
Molecular Formula : C13H20O2
Molecular Weight : 208.14633
More Details :
Names & Synonyms: (3E,5E)-7-isopropyl-7-methyl-nona-3,5-diene-2,8-dione , (3E,5E)-7-methyl-7-propan-2-ylnona-3,5-diene-2,8-dione , (3E,5E)-7-methyl-7-propan-2-yl-nona-3,5-diene-2,8-dione
Smiles: CC(=O)/C=C/C=C/[C@](C(=O)C)(C(C)C)C
InChi : InChI=1S/C13H20O2/c1-10(2)13(5,12(4)15)9-7-6-8-11(3)14/h6-10H,1-5H3/b8-6+,9-7+/t13-/m0/s1
InChi Key : InChIKey=CVETYAIQGFCEGB-GWRANMPSSA-N
PubChem ID : 5363881
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.552428
Hydrogen bond donor count : 0 Electric dipole moment : 5.858
XLogP : 2.737 VDW volume : 240.438877
Molecular weight : 208.14633 HOMO-LUMO gap : 8.874000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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