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ScientificNameLabel
Isobutylcinnammate
PHCD compound ID : 5453
Chemical Names :
Isobuthyl cinnamate , Isobutylcinnammate
Molecular Formula : C13H16O2
Molecular Weight : 204.11503
More Details :
Names & Synonyms: isobutyl (E)-3-phenylprop-2-enoate , (E)-3-phenyl-2-propenoic acid 2-methylpropyl ester , 2-methylpropyl (E)-3-phenylprop-2-enoate , 2-methylpropyl (E)-3-phenylprop-2-enoate , (E)-3-phenylacrylic acid isobutyl ester
Smiles: CC(COC(=O)/C=C/c1ccccc1)C
InChi : InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
InChi Key : InChIKey=IQZUZPKOFSOVET-CMDGGOBGSA-N
PubChem ID : 778574
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.636245
Hydrogen bond donor count : 0 Electric dipole moment : 1.992
XLogP : 3.286 VDW volume : 214.54596
Molecular weight : 204.11503 HOMO-LUMO gap : 8.824000
Herb list :
Refrences & Litretures:
  
908.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'6'      Page:'109'      DOI:''      Title:'Essential oil composition of Elaeagnus angustifolia and Elaeagnus orientalis from Sistan and Baluchestan, Iran'
909.      Journal:'Adv Pharm Bull'      Year:'2016'      Volume:'6'      Page:'163'      DOI:'10.15171/apb.2016.023'      Title:'Essential Oil from Flowers and Leaves of Elaeagnus Angustifolia (Elaeagnaceae): Composition, Radical Scavenging and General Toxicity Activities'
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