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ScientificNameLabel
Ethanone,1-cyclododecene
PHCD compound ID : 4676
Chemical Names :
Ethanone,1-cyclododecene
Molecular Formula : C14H24O1
Molecular Weight : 208.182715
More Details :
Names & Synonyms: 1-[(1E)-cyclododecen-1-yl]ethanone , 1-[(1E)-1-cyclododecenyl]ethanone
Smiles: CC(=O)C1=CCCCCCCCCCC1
InChi : InChI=1S/C14H24O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h11H,2-10,12H2,1H3/b14-11-
InChi Key : InChIKey=MLCBOXBUBJRZHC-KAMYIIQDSA-N
PubChem ID : 6054623
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.673458
Hydrogen bond donor count : 0 Electric dipole moment : 2.889
XLogP : 5.181 VDW volume : 241.861094
Molecular weight : 208.182715 HOMO-LUMO gap : 10.250000
Herb list :
Refrences & Litretures:
  
742.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'1287'      DOI:'10.1080/0972060X.2014.977572'      Title:'Comparing Stem and Seed Essential Oil in Dorema ammoniacum D. Don. From Iran'
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