tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane

C119H162Cl5F6N13O33Sn — CID 172932378

About tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane

tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane (PubChem CID 172932378) has the molecular formula C119H162Cl5F6N13O33Sn and a molecular weight of 2712.63 g/mol. Its IUPAC name is tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane.

Molecular Properties

• Compound Name: tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
• PubChem CID: 172932378
• Molecular Formula: C119H162Cl5F6N13O33Sn
• Molecular Weight: 2712.63 g/mol
• Exact Mass: 2709.88
• IUPAC Name: tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
• SMILES: C=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(/C=N/O)nc1NC=O.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
• InChI: InChI=1S/C11H8F6.C10H10N2O3.C9H9N3O4.C9H8N2O4.C9H10N2O2.C8H18O3.3C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.5CO.Sn/c1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-16-9(14)7-3-2-6(4-11-15)12-8(7)10-5-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;3*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;6*1-2;/h3-5H,2H2,1H3;3-6H,1H2,2H3,(H,11,12,13);2-5,15H,1H3,(H,10,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;3*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;;/b;;11-4+
• InChIKey: JRSSQXDTSSEWLJ-FKKRSUFSSA-N
• XLogP: 28.05
• TPSA: 656.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2712.63
LogP ≤ 5	28.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

The IUPAC name of tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane (CID 172932378) is tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane.

What is the SMILES notation for tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

The canonical SMILES for tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane is C=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(/C=N/O)nc1NC=O.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].

What is the InChIKey of tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

The InChIKey is JRSSQXDTSSEWLJ-FKKRSUFSSA-N. The full InChI is InChI=1S/C11H8F6.C10H10N2O3.C9H9N3O4.C9H8N2O4.C9H10N2O2.C8H18O3.3C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.5CO.Sn/c1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-16-9(14)7-3-2-6(4-11-15)12-8(7)10-5-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;3*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;6*1-2;/h3-5H,2H2,1H3;3-6H,1H2,2H3,(H,11,12,13);2-5,15H,1H3,(H,10,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;3*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;;/b;;11-4+;;;;;;;;;;;;;;;;;;;.

What are the key properties of tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane has a molecular weight of 2712.63 g/mol, XLogP of 28.05, 33 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane is sourced from PubChem (CID 172932378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).