Skip Navigation Links
ScientificNameLabel
Oxalic acid.isobutyl tetradecyl ester
PHCD compound ID : 3802
Chemical Names :
Oxalic acid.isobutyl tetradecyl ester
Molecular Formula : C20H38O4
Molecular Weight : 342.27701
More Details :
Names & Synonyms: O2-isobutyl O1-tetradecyl oxalate , oxalic acid O2-(2-methylpropyl) ester O1-tetradecyl ester , 2-O-(2-methylpropyl) 1-O-tetradecyl oxalate , O2-(2-methylpropyl) O1-tetradecyl ethanedioate , oxalic acid O2-isobutyl ester O1-myristyl ester
Smiles: CCCCCCCCCCCCCCOC(=O)C(=O)OCC(C)C
InChi : InChI=1S/C20H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19(21)20(22)24-17-18(2)3/h18H,4-17H2,1-3H3
InChi Key : InChIKey=MZXNBLODHMOBEC-UHFFFAOYSA-N
PubChem ID : 6420709
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.638623
Hydrogen bond donor count : 0 Electric dipole moment : 2.686
XLogP : 8.072 VDW volume : 384.364141
Molecular weight : 342.27701 HOMO-LUMO gap : 10.842000
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