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Isoeugenyl isovalerate
PHCD compound ID : 3339
Chemical Names :
Isoeugenyl isovalerate
Molecular Formula : C15H20O3
Molecular Weight : 248.141245
More Details :
Names & Synonyms: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate , 3-methylbutanoic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester , 3-methylbutyric acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester
Smiles: C/C=C/c1ccc(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/h5-8,10-11H,9H2,1-4H3/b6-5+
InChi Key : InChIKey=JNVPTYXMIALTSY-AATRIKPKSA-N
PubChem ID : 6428969
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.893179
Hydrogen bond donor count : 0 Electric dipole moment : 2.878
XLogP : 3.875 VDW volume : 257.928156
Molecular weight : 248.141245 HOMO-LUMO gap : 8.772000
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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