Skip Navigation Links
ScientificNameLabel
trans-pseudoisoeugenyl 2-methylbutyrate
PHCD compound ID : 693
Chemical Names :
trans-pseudoisoeugenyl 2-methylbutyrate
Molecular Formula : C14H18O3
Molecular Weight : 234.125594
More Details :
Names & Synonyms: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methylpropanoate , 2-methylpropanoic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester , 2-methylpropionic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester
Smiles: C/C=C/c1ccc(c(c1)OC)OC(=O)C(C)C
InChi : InChI=1S/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5-10H,1-4H3/b6-5+
InChi Key : InChIKey=HEOQGBRLGAJSLZ-AATRIKPKSA-N
PubChem ID : 6429346
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.656586
Hydrogen bond donor count : 0 Electric dipole moment : 1.246
XLogP : 3.091 VDW volume : 240.632171
Molecular weight : 234.125594 HOMO-LUMO gap : 8.638000
Herb list :
Refrences & Litretures:
  
44.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'1518'      DOI:'10.1021/jf0257493'      Title:'Supercritical Extraction of Essential Oil from Aniseed (Pimpinella anisum L) Using CO2: Solubility, Kinetics, and Composition Data'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us