Skip Navigation Links
ScientificNameLabel
3-Methylcyclopentanone
PHCD compound ID : 1913
Chemical Names :
3-Methyl-cyclopentanone , 3-Methylcyclopentanone
Molecular Formula : C6H10O1
Molecular Weight : 98.073165
More Details :
Names & Synonyms: 3-methylcyclopentanone , 3-methyl-1-cyclopentanone , 3-methylcyclopentan-1-one
Smiles: C[C@H]1CCC(=O)C1
InChi : InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChi Key : InChIKey=AOKRXIIIYJGNNU-YFKPBYRVSA-N
PubChem ID : 15650
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.072698
Hydrogen bond donor count : 0 Electric dipole moment : 3.396
XLogP : 0.859 VDW volume : 106.129676
Molecular weight : 98.073165 HOMO-LUMO gap : 11.047000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
573.      Journal:'Journal of Applied Biological Sciences'      Year:'2013'      Volume:'7'      Page:'61'      DOI:''      Title:'Chemical Composition and Hypolipidemic Effects of an Aromatic Water of Ziziphora tenuior L. in Cholesterol-fed Rabbits'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us