Skip Navigation Links
ScientificNameLabel
Ethanone.1-(5.6.7.8-tetrahydro-3.5.5.6.8.8-hexamethyl-2-naphthalenyl)-
PHCD compound ID : 3791
Chemical Names :
Ethanone.1-(5.6.7.8-tetrahydro-3.5.5.6.8.8-hexamethyl-2-naphthalenyl)-
Molecular Formula : C18H26O1
Molecular Weight : 258.198365
More Details :
Names & Synonyms: 1-(1,1,2,4,4,7-hexamethyltetralin-6-yl)ethanone , 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
Smiles: C[C@@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C
InChi : InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3/t12-/m1/s1
InChi Key : InChIKey=DNRJTBAOUJJKDY-GFCCVEGCSA-N
PubChem ID : 89440
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.131818
Hydrogen bond donor count : 0 Electric dipole moment : 3.512
XLogP : 5.348 VDW volume : 282.515656
Molecular weight : 258.198365 HOMO-LUMO gap : 9.061000
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