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1,1-Diethoxyethane
PHCD compound ID : 2326
Chemical Names :
1,1-Diethoxyethane , 1,1-Diethoxyethane acetal
Molecular Formula : C6H14O2
Molecular Weight : 118.09938
More Details :
Names & Synonyms: 1,1-diethoxyethane
Smiles: CCOC(OCC)C
InChi : InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
InChi Key : InChIKey=DHKHKXVYLBGOIT-UHFFFAOYSA-N
PubChem ID : 7765
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.912207
Hydrogen bond donor count : 0 Electric dipole moment : 2.238
XLogP : 1.273 VDW volume : 129.91282
Molecular weight : 118.09938 HOMO-LUMO gap : 12.235000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
890.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'126'      DOI:'10.1007/s10600-011-9854-z'      Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
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