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(5E,9Z)-Farnesyl acetone
PHCD compound ID : 2707
Chemical Names :
(5E,9Z)-Farnesyl acetone
Molecular Formula : C18H30O1
Molecular Weight : 262.229666
More Details :
Names & Synonyms: (5E,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one , (5E,9Z)-6,10,14-trimethyl-2-pentadeca-5,9,13-trienone
Smiles: C/C(=C/CC/C(=C/CCC(=O)C)/C)/CCC=C(C)C
InChi : InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11-,17-13+
InChi Key : InChIKey=LTUMRKDLVGQMJU-HSVQFRAPSA-N
PubChem ID : 1711944
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.022186
Hydrogen bond donor count : 0 Electric dipole moment : 3.230
XLogP : 5.44 VDW volume : 318.128574
Molecular weight : 262.229666 HOMO-LUMO gap : 10.053000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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