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ScientificNameLabel
1-Ethoxy-1-hexoxyethane
PHCD compound ID : 2351
Chemical Names :
1-Ethoxy-1-hexoxyethane , acetaldehyde ethyl hexyl acetal
Molecular Formula : C10H22O2
Molecular Weight : 174.16198
More Details :
Names & Synonyms: 1-(1-ethoxyethoxy)hexane
Smiles: CCCCCCO[C@@H](OCC)C
InChi : InChI=1S/C10H22O2/c1-4-6-7-8-9-12-10(3)11-5-2/h10H,4-9H2,1-3H3/t10-/m1/s1
InChi Key : InChIKey=YJYLJPSYBMNHTG-SNVBAGLBSA-N
PubChem ID : 108244
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.915710
Hydrogen bond donor count : 0 Electric dipole moment : 2.183
XLogP : 3.338 VDW volume : 199.096758
Molecular weight : 174.16198 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'
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
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