azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)

C11H27F6N5O7OsS2 — CID 11146932

IUPACazane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCOc1ccc(C)c(C)c1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C9H12O.2CHF3O3S.5H3N.Os/c1-7-4-5-9(10-3)6-8(7)2;2*2-1(3,4)8(5,6)7;;;;;;/h4-6H,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyAVVBCLZTSIQGBE-UHFFFAOYSA-L
MW709.72 g/mol
LogP3.22
Rot. Bonds1

About azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)

azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 11146932) has the molecular formula C11H27F6N5O7OsS2 and a molecular weight of 709.72 g/mol. Its IUPAC name is azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID11146932
Molecular FormulaC11H27F6N5O7OsS2
Molecular Weight709.72 g/mol
Exact Mass711.09
IUPAC Nameazane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCOc1ccc(C)c(C)c1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C9H12O.2CHF3O3S.5H3N.Os/c1-7-4-5-9(10-3)6-8(7)2;2*2-1(3,4)8(5,6)7;;;;;;/h4-6H,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyAVVBCLZTSIQGBE-UHFFFAOYSA-L
XLogP3.22
TPSA298.63 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.72
LogP ≤ 53.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
CID 11104386
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
bis(3-methoxyphenyl)iodanium;trifluoromethanesulfonate
CID 175669103
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
methane;(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;bis(triphenylsulfanium)
CID 159553561
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561

Frequently Asked Questions

What is the IUPAC name of azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate) (CID 11146932) is azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate) is COc1ccc(C)c(C)c1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].
What is the InChIKey of azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is AVVBCLZTSIQGBE-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H12O.2CHF3O3S.5H3N.Os/c1-7-4-5-9(10-3)6-8(7)2;2*2-1(3,4)8(5,6)7;;;;;;/h4-6H,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.
What are the key properties of azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)?
azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 709.72 g/mol, XLogP of 3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 11146932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).