Skip Navigation Links
ScientificNameLabel
11-Dodecen-2-one
PHCD compound ID : 3136
Chemical Names :
11-Dodecen-2-one
Molecular Formula : C12H22O1
Molecular Weight : 182.167065
More Details :
Names & Synonyms: dodec-11-en-2-one , 11-dodecen-2-one
Smiles: C=CCCCCCCCCC(=O)C
InChi : InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3H,1,4-11H2,2H3
InChi Key : InChIKey=OPLPMLGBZCNBGS-UHFFFAOYSA-N
PubChem ID : 78710
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.102034
Hydrogen bond donor count : 0 Electric dipole moment : 3.060
XLogP : 4.624 VDW volume : 219.625584
Molecular weight : 182.167065 HOMO-LUMO gap : 11.032000
Herb list :
Refrences & Litretures:
  
427.      Journal:'Food Chemistry'      Year:'2013'      Volume:'141'      Page:'253'      DOI:'10.1016/j.foodchem.2013.03.007'      Title:'Chemical composition and antimicrobial activity of the essential oils from four Ruta species growing in Algeria'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us