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ScientificNameLabel
6-hydroxy-2,6-dimethylhept-2-en-4-one
PHCD compound ID : 1711
Chemical Names :
6-hydroxy-2,6-dimethylhept-2-en-4-one
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: 6-hydroxy-2,6-dimethyl-hept-2-en-4-one , 6-hydroxy-2,6-dimethyl-2-hepten-4-one , 6-hydroxy-2,6-dimethylhept-2-en-4-one , 2,6-dimethyl-6-oxidanyl-hept-2-en-4-one
Smiles: CC(=CC(=O)CC(O)(C)C)C
InChi : InChI=1S/C9H16O2/c1-7(2)5-8(10)6-9(3,4)11/h5,11H,6H2,1-4H3
InChi Key : InChIKey=QSAGRPNCOXYADL-UHFFFAOYSA-N
PubChem ID : 15890165
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.016958
Hydrogen bond donor count : 1 Electric dipole moment : 4.842
XLogP : 1.058 VDW volume : 176.527856
Molecular weight : 156.11503 HOMO-LUMO gap : 9.908000
Herb list :
Refrences & Litretures:
  
193.      Journal:'Journal of Chinese Pharmaceutical Sciences'      Year:'2007'      Volume:'16'      Page:'288'      DOI:'1003–1057(2007)4–288–06'      Title:'Chemical constituents of the flower buds of Tussilago farfara'
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