Skip Navigation Links
ScientificNameLabel
Bis(2-ethyl hexyl)maleate
PHCD compound ID : 4295
Chemical Names :
Bis(2-ethyl hexyl)maleate
Molecular Formula : C20H36O4
Molecular Weight : 340.26136
More Details :
Names & Synonyms: bis(2-ethylhexyl) (Z)-but-2-enedioate , (Z)-2-butenedioic acid bis(2-ethylhexyl) ester , (Z)-but-2-enedioic acid bis(2-ethylhexyl) ester
Smiles: CCCC[C@H](COC(=O)/C=C\C(=O)OC[C@@H](CCCC)CC)CC
InChi : InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-/t17-,18-/m1/s1
InChi Key : InChIKey=ROPXFXOUUANXRR-RUDFYFPKSA-N
PubChem ID : 5365125
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.644107
Hydrogen bond donor count : 0 Electric dipole moment : 2.799
XLogP : 6.934 VDW volume : 381.727682
Molecular weight : 340.26136 HOMO-LUMO gap : 9.946000
Herb list :
Refrences & Litretures:
  
619.      Journal:'Iranian Journal of Plant Physiology'      Year:'2012'      Volume:'2'      Page:'339'      DOI:''      Title:'Investigating the chemical composition of different parts extracts of bipod nettle Urtica dioica L. in Tonekabon region'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us