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Citronellyl isovalerate
PHCD compound ID : 3329
Chemical Names :
Citronellyl isovalerate
Molecular Formula : C15H28O2
Molecular Weight : 240.20893
More Details :
Names & Synonyms: 3,7-dimethyloct-6-enyl 3-methylbutanoate , 3-methylbutanoic acid 3,7-dimethyloct-6-enyl ester , 3-methylbutyric acid 3,7-dimethyloct-6-enyl ester
Smiles: C[C@H](CCC=C(C)C)CCOC(=O)CC(C)C
InChi : InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3/t14-/m1/s1
InChi Key : InChIKey=WZTNQQJXPYEGAF-CQSZACIVSA-N
PubChem ID : 111440
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.203025
Hydrogen bond donor count : 0 Electric dipole moment : 2.150
XLogP : 5.356 VDW volume : 280.303764
Molecular weight : 240.20893 HOMO-LUMO gap : 10.474000
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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