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ScientificNameLabel
dihydroeugenyl-pentanoate
PHCD compound ID : 4561
Chemical Names :
dihydroeugenyl-pentanoate
Molecular Formula : C15H22O3
Molecular Weight : 250.156895
More Details :
Names & Synonyms:
Smiles: CCCCC(=O)Oc1ccc(cc1OC)CCC
InChi : InChI=1S/C15H22O3/c1-4-6-8-15(16)18-13-10-9-12(7-5-2)11-14(13)17-3/h9-11H,4-8H2,1-3H3
InChi Key : InChIKey=FJHFWADRZGKHJW-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.705210
Hydrogen bond donor count : 0 Electric dipole moment : 2.522
XLogP : 3.982 VDW volume : 260.564615
Molecular weight : 250.156895 HOMO-LUMO gap : 8.923000
Herb list :
Refrences & Litretures:
  
698.      Journal:'Journal of Essential Oil Research'      Year:'2015'      Volume:'27'      Page:'465'      DOI:'10.1080/10412905.2015.1065773'      Title:'Chemical composition of essential oils of leaves and flowers from five cultivars of myrtle (Myrtus communis L.)'
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