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ScientificNameLabel
Dihydrotagetone
PHCD compound ID : 3357
Chemical Names :
Dihydrotagetone
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: 2,6-dimethyloct-7-en-4-one , 2,6-dimethyl-7-octen-4-one
Smiles: C=C[C@@H](CC(=O)CC(C)C)C
InChi : InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3/t9-/m0/s1
InChi Key : InChIKey=VUSBHGLIAQXBSW-VIFPVBQESA-N
PubChem ID : 102706
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.898304
Hydrogen bond donor count : 0 Electric dipole moment : 3.131
XLogP : 3.044 VDW volume : 185.033614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.691000
Herb list :
Refrences & Litretures:
  
457.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1469'      DOI:'10.1016/j.foodchem.2011.05.117'      Title:'Chemical composition, antimicrobial potential against cariogenic bacteria and cytotoxic activity of Tunisian Nigella sativa essential oil and thymoquinone'
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