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Myrtenyl isovalerate
PHCD compound ID : 3328
Chemical Names :
Myrtenyl isovalerate
Molecular Formula : C15H24O2
Molecular Weight : 236.17763
More Details :
Names & Synonyms: (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 3-methylbutanoate , 3-methylbutanoic acid (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl ester , 3-methylbutyric acid (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl ester
Smiles: CC(CC(=O)OCC1=CC[C@@H]2C[C@H]1C2(C)C)C
InChi : InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-11-5-6-12-8-13(11)15(12,3)4/h5,10,12-13H,6-9H2,1-4H3/t12-,13-/m1/s1
InChi Key : InChIKey=TVGPYTOYKLZBPA-CHWSQXEVSA-N
PubChem ID : 5319992
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.341097
Hydrogen bond donor count : 0 Electric dipole moment : 1.860
XLogP : 4.366 VDW volume : 255.590847
Molecular weight : 236.17763 HOMO-LUMO gap : 10.133000
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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