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ScientificNameLabel
3(2H)-Furanone. 2-hexyl-5-methyl-
PHCD compound ID : 3800
Chemical Names :
3(2H)-Furanone. 2-hexyl-5-methyl-
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms: 2-hexyl-5-methyl-furan-3-one , 2-hexyl-5-methyl-3-furanone , 2-hexyl-5-methylfuran-3-one
Smiles: CCCCCC[C@H]1OC(=CC1=O)C
InChi : InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3/t11-/m1/s1
InChi Key : InChIKey=AAUWBAWSKVOBFL-LLVKDONJSA-N
PubChem ID : 566912
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.816049
Hydrogen bond donor count : 0 Electric dipole moment : 3.977
XLogP : 3.316 VDW volume : 198.763367
Molecular weight : 182.13068 HOMO-LUMO gap : 9.716000
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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