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ScientificNameLabel
(1E)-1-Octenyl acetate
PHCD compound ID : 4497
Chemical Names :
(1E)-1-Octenyl acetate
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: [(E)-oct-1-enyl] acetate , acetic acid [(E)-oct-1-enyl] ester , [(E)-oct-1-enyl] ethanoate
Smiles: CCCCCC/C=C/OC(=O)C
InChi : InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
InChi Key : InChIKey=BQZSFXARLMHSGX-CMDGGOBGSA-N
PubChem ID : 5352540
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.531046
Hydrogen bond donor count : 0 Electric dipole moment : 1.887
XLogP : 3.747 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.134000
Herb list :
Refrences & Litretures:
  
660.      Journal:'Journal of Chromatography A'      Year:'2007'      Volume:'1150'      Page:'50'      DOI:'10.1016/j.chroma.2006.08.080'      Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
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