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1,1-Diethoxyhexane
PHCD compound ID : 3550
Chemical Names :
1,1-Diethoxyhexane
Molecular Formula : C10H22O2
Molecular Weight : 174.16198
More Details :
Names & Synonyms: 1,1-diethoxyhexane
Smiles: CCCCCC(OCC)OCC
InChi : InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3
InChi Key : InChIKey=WNHOMUCDFNTSEV-UHFFFAOYSA-N
PubChem ID : 77224
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.733487
Hydrogen bond donor count : 0 Electric dipole moment : 2.003
XLogP : 3.338 VDW volume : 199.096758
Molecular weight : 174.16198 HOMO-LUMO gap : 12.019000
Herb list :
Refrences & Litretures:
  
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
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