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ScientificNameLabel
(E)-2-Hexen-1-yl benzoate
PHCD compound ID : 1551
Chemical Names :
(E)-2-Hexen-1-yl benzoate
Molecular Formula : C13H16O2
Molecular Weight : 204.11503
More Details :
Names & Synonyms: [(E)-hex-2-enyl] benzoate , benzoic acid [(E)-hex-2-enyl] ester
Smiles: CCC/C=C/COC(=O)c1ccccc1
InChi : InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4+
InChi Key : InChIKey=IRWNFSMZBFIURE-XBXARRHUSA-N
PubChem ID : 5352456
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.851107
Hydrogen bond donor count : 0 Electric dipole moment : 2.269
XLogP : 3.475 VDW volume : 214.54596
Molecular weight : 204.11503 HOMO-LUMO gap : 9.265000
Herb list :
Refrences & Litretures:
  
171.      Journal:'Med Aromat Plants'      Year:'2012'      Volume:'1'      Page:'1000e134'      DOI:'10.4172/2167-0412.1000e134'      Title:'Chemical Composition of the Essential Oil of Quince (Cydonia Oblonga Miller) Leaves'
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