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Geranyl benzoate
PHCD compound ID : 5735
Chemical Names :
Geranyl benzoate
Molecular Formula : C17H22O2
Molecular Weight : 258.16198
More Details :
Names & Synonyms: [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate , benzoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester , [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate
Smiles: C/C(=C\COC(=O)c1ccccc1)/CCC=C(C)C
InChi : InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
InChi Key : InChIKey=YDVXYTIIPGKIJP-NTCAYCPXSA-N
PubChem ID : 5353011
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.007139
Hydrogen bond donor count : 0 Electric dipole moment : 1.314
XLogP : 4.326 VDW volume : 281.09344
Molecular weight : 258.16198 HOMO-LUMO gap : 8.493000
Herb list :
Refrences & Litretures:
  
975.      Journal:'Flavour Fragr. J'      Year:'1998'      Volume:'13'      Page:'373'      DOI:'10.1002/(SICI)1099-1026(199811/12)13:6<373::AID-FFJ749>3.0.CO;2-G'      Title:'Constituents of the essential oil of Solidago virgaurea L'
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