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Geranyl Caproate
PHCD compound ID : 4817
Chemical Names :
Geranyl Caproate
Molecular Formula : C16H28O2
Molecular Weight : 252.20893
More Details :
Names & Synonyms: [(2E)-3,7-dimethylocta-2,6-dienyl] hexanoate , hexanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Smiles: CCCCCC(=O)OC/C=C(/CCC=C(C)C)\C
InChi : InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+
InChi Key : InChIKey=ARVSCQUZFFSNKF-NTCAYCPXSA-N
PubChem ID : 5365992
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.062871
Hydrogen bond donor count : 0 Electric dipole moment : 0.894
XLogP : 5.224 VDW volume : 294.96329
Molecular weight : 252.20893 HOMO-LUMO gap : 10.017000
Herb list :
Refrences & Litretures:
  
781.      Journal:'Digest Journal of Nanomaterials and Biostructures'      Year:'2009'      Volume:'4'      Page:'835'      DOI:''      Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
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