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ScientificNameLabel
(2E)-Undecenol acetate
PHCD compound ID : 4086
Chemical Names :
(2E)-Undecenol acetate
Molecular Formula : C13H24O2
Molecular Weight : 212.17763
More Details :
Names & Synonyms: [(E)-undec-2-enyl] acetate , acetic acid [(E)-undec-2-enyl] ester , [(E)-undec-2-enyl] ethanoate
Smiles: CCCCCCCC/C=C/COC(=O)C
InChi : InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3/b11-10+
InChi Key : InChIKey=WITKTXDMHHYCJB-ZHACJKMWSA-N
PubChem ID : 5363202
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.870056
Hydrogen bond donor count : 0 Electric dipole moment : 2.177
XLogP : 5.258 VDW volume : 245.711795
Molecular weight : 212.17763 HOMO-LUMO gap : 10.758000
Herb list :
Refrences & Litretures:
  
562.      Journal:'chemija'      Year:'2008'      Volume:'19'      Page:'25'      DOI:''      Title:'Volatile constituents from aerial parts and roots of Cichorium intybus L. (chicory) grown in Lithuania'
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