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ScientificNameLabel
citronellyl pentanoate
PHCD compound ID : 2937
Chemical Names :
citronellyl pentanoate
Molecular Formula : C15H28O2
Molecular Weight : 240.20893
More Details :
Names & Synonyms: 3,7-dimethyloct-6-enyl pentanoate , pentanoic acid 3,7-dimethyloct-6-enyl ester , valeric acid 3,7-dimethyloct-6-enyl ester
Smiles: CCCCC(=O)OCC[C@H](CCC=C(C)C)C
InChi : InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3/t14-/m0/s1
InChi Key : InChIKey=PFOJEJPZUVQHEH-AWEZNQCLSA-N
PubChem ID : 61416
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.104244
Hydrogen bond donor count : 0 Electric dipole moment : 1.405
XLogP : 5.417 VDW volume : 280.303764
Molecular weight : 240.20893 HOMO-LUMO gap : 10.415000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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