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ScientificNameLabel
4-hexanolide
PHCD compound ID : 582
Chemical Names :
2(3H)-Furanone,5-(ethyldihydro)- , Gamma-Hexalactone , Gamma-caprolactone , 4-hexanolide
Molecular Formula : C6H10O2
Molecular Weight : 114.06808
More Details :
Names & Synonyms: 5-ethyltetrahydrofuran-2-one , 5-ethyl-2-oxolanone , 5-ethyloxolan-2-one
Smiles: CC[C@@H]1CCC(=O)O1
InChi : InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3/t5-/m1/s1
InChi Key : InChIKey=JBFHTYHTHYHCDJ-RXMQYKEDSA-N
PubChem ID : 12756
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.705637
Hydrogen bond donor count : 0 Electric dipole moment : 4.745
XLogP : 1.037 VDW volume : 114.919902
Molecular weight : 114.06808 HOMO-LUMO gap : 11.856000
Herb list :
Refrences & Litretures:
  
34.      Journal:'J Sci Food Agric'      Year:'2014'      Volume:'94'      Page:'2179'      DOI:'10.1002/jsfa.6533'      Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
317.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8310'      DOI:'10.1021/jf0580869'      Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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