Skip Navigation Links
ScientificNameLabel
(5R)-5-Methyl-2-(1-methylethylidene)cyclohexanone
PHCD compound ID : 3103
Chemical Names :
(5R)-5-Methyl-2-(1-methylethylidene)cyclohexanone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (5R)-2-isopropylidene-5-methyl-cyclohexanone , (5R)-5-methyl-2-propan-2-ylidene-1-cyclohexanone , (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one , (5R)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one
Smiles: C[C@@H]1CCC(=C(C)C)C(=O)C1
InChi : InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
InChi Key : InChIKey=NZGWDASTMWDZIW-MRVPVSSYSA-N
PubChem ID : 442495
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.454197
Hydrogen bond donor count : 0 Electric dipole moment : 3.266
XLogP : 2.126 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.847000
Herb list :
Refrences & Litretures:
  
410.      Journal:'Food Chemistry'      Year:'2009'      Volume:'115'      Page:'1114'      DOI:'10.1016/j.foodchem.2008.12.091'      Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us