Skip Navigation Links
ScientificNameLabel
Allethrin
PHCD compound ID : 3730
Chemical Names :
Allethrin
Molecular Formula : C19H26O3
Molecular Weight : 302.188195
More Details :
Names & Synonyms: (3-allyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate , 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) ester , (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate , (2-methyl-4-oxidanylidene-3-prop-2-enyl-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate , 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (3-allyl-4-keto-2-methyl-cyclopent-2-en-1-yl) ester
Smiles: C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C
InChi : InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16-,17+/m1/s1
InChi Key : InChIKey=ZCVAOQKBXKSDMS-OIISXLGYSA-N
PubChem ID : 11442
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.486672
Hydrogen bond donor count : 0 Electric dipole moment : 5.034
XLogP : 3.714 VDW volume : 325.655636
Molecular weight : 302.188195 HOMO-LUMO gap : 9.284000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us