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1,1-Diethoxy-2-methylbutane
PHCD compound ID : 3548
Chemical Names :
1,1-Diethoxy-2-methylbutane
Molecular Formula : C9H20O2
Molecular Weight : 160.14633
More Details :
Names & Synonyms: 1,1-diethoxy-2-methyl-butane , 1,1-diethoxy-2-methylbutane
Smiles: CCOC([C@@H](CC)C)OCC
InChi : InChI=1S/C9H20O2/c1-5-8(4)9(10-6-2)11-7-3/h8-9H,5-7H2,1-4H3/t8-/m1/s1
InChi Key : InChIKey=PAPSQZAQCBGYCJ-MRVPVSSYSA-N
PubChem ID : 568501
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.851036
Hydrogen bond donor count : 0 Electric dipole moment : 2.186
XLogP : 2.497 VDW volume : 181.800774
Molecular weight : 160.14633 HOMO-LUMO gap : 12.189000
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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