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ScientificNameLabel
cis-5-Butyl-4-methyldihydrofuran-2(3H)-one
PHCD compound ID : 5336
Chemical Names :
cis-5-Butyl-4-methyldihydrofuran-2(3H)-one
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: (4R,5R)-5-butyl-4-methyl-tetrahydrofuran-2-one , (4R,5R)-5-butyl-4-methyl-2-oxolanone , (4R,5R)-5-butyl-4-methyloxolan-2-one , (4R,5R)-5-butyl-4-methyloxolan-2-one , (4R,5R)-5-butyl-4-methyl-oxolan-2-one
Smiles: C[C@@H]1CC(=O)O[C@@H]1CCCC
InChi : InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChi Key : InChIKey=WNVCMFHPRIBNCW-HTQZYQBOSA-N
PubChem ID : 41285
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.619480
Hydrogen bond donor count : 0 Electric dipole moment : 4.876
XLogP : 2.472 VDW volume : 166.807856
Molecular weight : 156.11503 HOMO-LUMO gap : 11.789000
Herb list :
Refrences & Litretures:
  
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
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