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2.2.6.beta.7.beta.-tetramethylbicyclo[4.3.0]nona-4.9(1)-dien-8.alpha.-ol
PHCD compound ID : 3751
Chemical Names :
2.2.6.beta.7.beta.-tetramethylbicyclo[4.3.0]nona-4.9(1)-dien-8.alpha.-ol
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: 1,5,5,7a-tetramethyl-2,4-dihydro-1H-inden-2-ol
Smiles: O[C@H]1C=C2[C@@]([C@@H]1C)(C)C=CC(C2)(C)C
InChi : InChI=1S/C13H20O/c1-9-11(14)7-10-8-12(2,3)5-6-13(9,10)4/h5-7,9,11,14H,8H2,1-4H3/t9-,11+,13+/m1/s1
InChi Key : InChIKey=WRBJGCSDYSDMRE-CDMKHQONSA-N
PubChem ID : 91747973
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.591663
Hydrogen bond donor count : 1 Electric dipole moment : 2.727
XLogP : 3.497 VDW volume : 212.208651
Molecular weight : 192.151415 HOMO-LUMO gap : 10.499000
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'
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