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ScientificNameLabel
Hexanoic acid,9-decen-1-yl ester
PHCD compound ID : 2697
Chemical Names :
Hexanoic acid,9-decen-1-yl ester
Molecular Formula : C16H30O2
Molecular Weight : 254.22458
More Details :
Names & Synonyms: dec-9-enyl hexanoate , hexanoic acid dec-9-enyl ester
Smiles: CCCCCC(=O)OCCCCCCCCC=C
InChi : InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3H,1,4-15H2,2H3
InChi Key : InChIKey=DIXHGNMBGFNHPV-UHFFFAOYSA-N
PubChem ID : 536237
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.118959
Hydrogen bond donor count : 0 Electric dipole moment : 1.687
XLogP : 6.599 VDW volume : 297.599749
Molecular weight : 254.22458 HOMO-LUMO gap : 11.235000
Herb list :
Refrences & Litretures:
  
312.      Journal:'Talanta'      Year:'2010'      Volume:'81'      Page:'129'      DOI:'10.1016/j.talanta.2009.11.047'      Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
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