azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)

C12H33F6N5O8OsS2 — CID 10919704

IUPACazane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
SMILESCOC(=O)C(C)(C)C1C=CCC1.N.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os]
InChIInChI=1S/C10H16O2.2CHF3O3S.5H3N.Os/c1-10(2,9(11)12-3)8-6-4-5-7-8;2*2-1(3,4)8(5,6)7;;;;;;/h4,6,8H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;
InChIKeyAFPXQZCQRSAPBK-UHFFFAOYSA-N
MW743.77 g/mol
LogP3.75
Rot. Bonds2

About azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)

azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) (PubChem CID 10919704) has the molecular formula C12H33F6N5O8OsS2 and a molecular weight of 743.77 g/mol. Its IUPAC name is azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Nameazane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
PubChem CID10919704
Molecular FormulaC12H33F6N5O8OsS2
Molecular Weight743.77 g/mol
Exact Mass745.13
IUPAC Nameazane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
SMILESCOC(=O)C(C)(C)C1C=CCC1.N.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os]
InChIInChI=1S/C10H16O2.2CHF3O3S.5H3N.Os/c1-10(2,9(11)12-3)8-6-4-5-7-8;2*2-1(3,4)8(5,6)7;;;;;;/h4,6,8H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;
InChIKeyAFPXQZCQRSAPBK-UHFFFAOYSA-N
XLogP3.75
TPSA310.04 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.77
LogP ≤ 53.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
The IUPAC name of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) (CID 10919704) is azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) is COC(=O)C(C)(C)C1C=CCC1.N.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os].
What is the InChIKey of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
The InChIKey is AFPXQZCQRSAPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.2CHF3O3S.5H3N.Os/c1-10(2,9(11)12-3)8-6-4-5-7-8;2*2-1(3,4)8(5,6)7;;;;;;/h4,6,8H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;.
What are the key properties of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) has a molecular weight of 743.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 10919704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).