azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)

C11H25F6N5O7OsS2 — CID 15328821

IUPACazane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESC=Cc1ccc(OC)cc1.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/C9H10O.2CHF3O3S.5H3N.Os/c1-3-8-4-6-9(10-2)7-5-8;2*2-1(3,4)8(5,6)7;;;;;;/h3-7H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyNKUKBZPIEXBKKJ-UHFFFAOYSA-L
MW707.70 g/mol
LogP3.25
Rot. Bonds2

About azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)

azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 15328821) has the molecular formula C11H25F6N5O7OsS2 and a molecular weight of 707.70 g/mol. Its IUPAC name is azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID15328821
Molecular FormulaC11H25F6N5O7OsS2
Molecular Weight707.70 g/mol
Exact Mass709.07
IUPAC Nameazane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESC=Cc1ccc(OC)cc1.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/C9H10O.2CHF3O3S.5H3N.Os/c1-3-8-4-6-9(10-2)7-5-8;2*2-1(3,4)8(5,6)7;;;;;;/h3-7H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyNKUKBZPIEXBKKJ-UHFFFAOYSA-L
XLogP3.25
TPSA298.63 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.70
LogP ≤ 53.25
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
azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 11146932
(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate
CID 140648641
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
CID 21495831
(4-ethenylphenyl)-difluoromethanesulfonate
CID 59554748
methane;(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;bis(triphenylsulfanium)
CID 159553561
(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate
CID 86126985
carbanylium;(4-ethenylphenyl)-difluoromethanesulfonate
CID 159575348
(4-methoxyphenyl)methyl-diphenylsulfanium;trifluoromethanesulfonate
CID 161364484
1-O-(4-ethenylphenyl) 3-O-methyl 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonate
CID 142285898

Frequently Asked Questions

What is the IUPAC name of azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate) (CID 15328821) is azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate) is C=Cc1ccc(OC)cc1.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;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is NKUKBZPIEXBKKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H10O.2CHF3O3S.5H3N.Os/c1-3-8-4-6-9(10-2)7-5-8;2*2-1(3,4)8(5,6)7;;;;;;/h3-7H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.
What are the key properties of azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)?
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 707.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 15328821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).