Skip Navigation Links
ScientificNameLabel
Bicyclo[4.3.0]nonan-2-one.8-isopropylidene-
PHCD compound ID : 3766
Chemical Names :
Bicyclo[4.3.0]nonan-2-one.8-isopropylidene-
Molecular Formula : C12H18O1
Molecular Weight : 178.135765
More Details :
Names & Synonyms: 2-isopropylidene-3,3a,5,6,7,7a-hexahydro-1H-inden-4-one , 2-propan-2-ylidene-3,3a,5,6,7,7a-hexahydro-1H-inden-4-one
Smiles: CC(=C1C[C@@H]2[C@H](C1)CCCC2=O)C
InChi : InChI=1S/C12H18O/c1-8(2)10-6-9-4-3-5-12(13)11(9)7-10/h9,11H,3-7H2,1-2H3/t9-,11+/m0/s1
InChi Key : InChIKey=CHQSBPSGBSLDOC-GXSJLCMTSA-N
PubChem ID : 596085
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.908531
Hydrogen bond donor count : 0 Electric dipole moment : 3.068
XLogP : 2.127 VDW volume : 194.912666
Molecular weight : 178.135765 HOMO-LUMO gap : 9.996000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us