ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium

C12H24F6NO6S2Y- — CID 159239563

IUPACethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium
SMILESCCCCCC[N+](C)(C)CC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Y]
InChIInChI=1S/C10H24N.2CHF3O3S.Y/c1-5-7-8-9-10-11(3,4)6-2;2*2-1(3,4)8(5,6)7;/h5-10H2,1-4H3;2*(H,5,6,7);/q+1;;;/p-2
InChIKeyCWDLYOSYIDYLLG-UHFFFAOYSA-L
MW545.35 g/mol
LogP2.76
Rot. Bonds6

About ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium

ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium (PubChem CID 159239563) has the molecular formula C12H24F6NO6S2Y- and a molecular weight of 545.35 g/mol. Its IUPAC name is ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium.

Molecular Properties

Compound Nameethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium
PubChem CID159239563
Molecular FormulaC12H24F6NO6S2Y-
Molecular Weight545.35 g/mol
Exact Mass545.00
IUPAC Nameethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium
SMILESCCCCCC[N+](C)(C)CC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Y]
InChIInChI=1S/C10H24N.2CHF3O3S.Y/c1-5-7-8-9-10-11(3,4)6-2;2*2-1(3,4)8(5,6)7;/h5-10H2,1-4H3;2*(H,5,6,7);/q+1;;;/p-2
InChIKeyCWDLYOSYIDYLLG-UHFFFAOYSA-L
XLogP2.76
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

bis(didecyl(dimethyl)azanium);difluoromethanedisulfonate
CID 158618424
bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium
CID 162622861
bis(diethyl-heptyl-methylazanium);hydrazine;bis(trifluoromethanesulfonate)
CID 160864874
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
dodecyl-ethyl-dimethylazanium;methanesulfonic acid
CID 87724332
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
iridium;methyl-pentyl-dipropylazanium;bis(trifluoromethanesulfonate)
CID 160744281
didecyl(dimethyl)azanium;hydrogen sulfate
CID 11618701
didecyl(dimethyl)azanium sulfate
CID 21195390
butyl-dimethyl-octylazanium;hydrogen sulfate
CID 122481748
decyl-hexyl-dimethylazanium;hydron;sulfate
CID 134207388
diethyl(dioctadecyl)azanium;1,1,2,2,2-pentafluoroethanesulfonate
CID 19898468

Frequently Asked Questions

What is the IUPAC name of ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium?
The IUPAC name of ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium (CID 159239563) is ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium.
What is the SMILES notation for ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium?
The canonical SMILES for ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium is CCCCCC[N+](C)(C)CC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Y].
What is the InChIKey of ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium?
The InChIKey is CWDLYOSYIDYLLG-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H24N.2CHF3O3S.Y/c1-5-7-8-9-10-11(3,4)6-2;2*2-1(3,4)8(5,6)7;/h5-10H2,1-4H3;2*(H,5,6,7);/q+1;;;/p-2.
What are the key properties of ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium?
ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium has a molecular weight of 545.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium is sourced from PubChem (CID 159239563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).