Skip Navigation Links
ScientificNameLabel
1-Cyclohexen-1-yl-methyl ketone
PHCD compound ID : 3891
Chemical Names :
1-Cyclohexen-1-yl-methyl ketone
Molecular Formula : C8H12O1
Molecular Weight : 124.088815
More Details :
Names & Synonyms: 1-(cyclohexen-1-yl)ethanone , 1-(1-cyclohexenyl)ethanone
Smiles: CC(=O)C1=CCCCC1
InChi : InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3
InChi Key : InChIKey=LTYLUDGDHUEBGX-UHFFFAOYSA-N
PubChem ID : 13612
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.815525
Hydrogen bond donor count : 0 Electric dipole moment : 3.437
XLogP : 1.767 VDW volume : 138.085186
Molecular weight : 124.088815 HOMO-LUMO gap : 9.968000
Herb list :
Refrences & Litretures:
  
527.      Journal:'International Scholarly Research Network'      Year:'2012'      Volume:''      Page:'591953'      DOI:'10.5402/2012/591953'      Title:'Chemical Composition and Antimicrobial Activities of Essential Oils from Nepeta cataria L. against Common Causes of Food-Borne Infections'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us