azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)

C7H23F6N5O6OsS2Se — CID 11039853

IUPACazane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESC=C/C=C\[Se]C.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/C5H8Se.2CHF3O3S.5H3N.Os/c1-3-4-5-6-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/b5-4-;;;;;;;;
InChIKeyQXETYUYZDXFXLJ-XPOPMFIKSA-L
MW720.60 g/mol
LogP2.35
Rot. Bonds2

About azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)

azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 11039853) has the molecular formula C7H23F6N5O6OsS2Se and a molecular weight of 720.60 g/mol. Its IUPAC name is azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID11039853
Molecular FormulaC7H23F6N5O6OsS2Se
Molecular Weight720.60 g/mol
Exact Mass722.98
IUPAC Nameazane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
SMILESC=C/C=C\[Se]C.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/C5H8Se.2CHF3O3S.5H3N.Os/c1-3-4-5-6-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/b5-4-;;;;;;;;
InChIKeyQXETYUYZDXFXLJ-XPOPMFIKSA-L
XLogP2.35
TPSA289.40 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.60
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

CID 134898620
CID 134898620
azane;(1Z)-1-methylsulfanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)
CID 135047414

Frequently Asked Questions

What is the IUPAC name of azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) (CID 11039853) is azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) is C=C/C=C\[Se]C.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;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is QXETYUYZDXFXLJ-XPOPMFIKSA-L. The full InChI is InChI=1S/C5H8Se.2CHF3O3S.5H3N.Os/c1-3-4-5-6-2;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1H2,2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/b5-4-;;;;;;;;.
What are the key properties of azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate)?
azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 720.60 g/mol, XLogP of 2.35, 2 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1Z)-1-methylselanylbuta-1,3-diene;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 11039853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).