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(E)-2,6-dimethyl-10-(p-tolyl)-undeca-2,6-diene
PHCD compound ID : 4811
Chemical Names :
(E)-2,6-dimethyl-10-(p-tolyl)-undeca-2,6-diene
Molecular Formula : C20H30
Molecular Weight : 270.234751
More Details :
Names & Synonyms:
Smiles: C/C(=C/CC[C@H](c1ccc(cc1)C)C)/CCC=C(C)C
InChi : InChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12-15,19H,6-7,9,11H2,1-5H3/b17-10-/t19-/m1/s1
InChi Key : InChIKey=IYQVATJMGUYOMV-WSDUQJHMSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.912873
Hydrogen bond donor count : 0 Electric dipole moment : 1.104
XLogP : 7.583 VDW volume : 318.037399
Molecular weight : 270.234751 HOMO-LUMO gap : 9.342000
Herb list :
Refrences & Litretures:
  
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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