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4,8-Dimethylnona-3,8-dien-2-one
PHCD compound ID : 1017
Chemical Names :
4,8-Dimethylnona-3,8-dien-2-one
Molecular Formula : C11H18O1
Molecular Weight : 166.135765
More Details :
Names & Synonyms: (3E)-4,8-dimethylnona-3,8-dien-2-one , (3E)-4,8-dimethyl-2-nona-3,8-dienone
Smiles: CC(=C)CCC/C(=C/C(=O)C)/C
InChi : InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h8H,1,5-7H2,2-4H3/b10-8+
InChi Key : InChIKey=HCJMBPAWBFFIJI-CSKARUKUSA-N
PubChem ID : 5365887
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.846847
Hydrogen bond donor count : 0 Electric dipole moment : 2.827
XLogP : 2.927 VDW volume : 199.69314
Molecular weight : 166.135765 HOMO-LUMO gap : 9.987000
Herb list :
Refrences & Litretures:
  
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
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