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ScientificNameLabel
dodecenyl acetate
PHCD compound ID : 4385
Chemical Names :
dodecenyl acetate
Molecular Formula : C14H26O2
Molecular Weight : 226.19328
More Details :
Names & Synonyms: [(E)-dodec-1-enyl] acetate , acetic acid [(E)-dodec-1-enyl] ester , [(E)-dodec-1-enyl] ethanoate
Smiles: CCCCCCCCCC/C=C/OC(=O)C
InChi : InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h12-13H,3-11H2,1-2H3/b13-12+
InChi Key : InChIKey=MAAMIILYYYQTQW-OUKQBFOZSA-N
PubChem ID : 5363334
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.514222
Hydrogen bond donor count : 0 Electric dipole moment : 1.897
XLogP : 6.023 VDW volume : 263.007779
Molecular weight : 226.19328 HOMO-LUMO gap : 10.131000
Herb list :
Refrences & Litretures:
  
651.      Journal:'Bioscience Research'      Year:'2005'      Volume:'2'      Page:'107'      DOI:''      Title:'Cytotoxicity and chemical constituents of the volatile oil of golpar (heracleum persicum desf. Ex Fischer)'
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