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Eugenyl isovalerate
PHCD compound ID : 3333
Chemical Names :
Eugenyl isovalerate
Molecular Formula : C15H20O3
Molecular Weight : 248.141245
More Details :
Names & Synonyms: (4-allyl-2-methoxy-phenyl) 3-methylbutanoate , 3-methylbutanoic acid (2-methoxy-4-prop-2-enylphenyl) ester , (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate , (2-methoxy-4-prop-2-enyl-phenyl) 3-methylbutanoate , 3-methylbutyric acid (4-allyl-2-methoxy-phenyl) ester
Smiles: C=CCc1ccc(c(c1)OC)OC(=O)CC(C)C
InChi : InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3
InChi Key : InChIKey=PLUVLWUSXQCTNH-UHFFFAOYSA-N
PubChem ID : 3085213
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.149797
Hydrogen bond donor count : 0 Electric dipole moment : 2.813
XLogP : 3.744 VDW volume : 257.928156
Molecular weight : 248.141245 HOMO-LUMO gap : 9.190000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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