potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)

C156H323KN11NaO42SSi5 — CID 158743530

About potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)

potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate) (PubChem CID 158743530) has the molecular formula C156H323KN11NaO42SSi5 and a molecular weight of 3259.92 g/mol. Its IUPAC name is potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate).

Molecular Properties

• Compound Name: potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)
• PubChem CID: 158743530
• Molecular Formula: C156H323KN11NaO42SSi5
• Molecular Weight: 3259.92 g/mol
• Exact Mass: 3257.16
• IUPAC Name: potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)
• SMILES: CC/C(C)=N/CCCC(=O)OC(C)(C)CC.CC/C(C)=N/CCCC(=O)OC(C)(C)CC.CCC(C)(C)C(=O)[O-].CCC(C)C(=O)OCC1CO1.CCC(C)C(=O)OCC1CO1.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)NC(C)=O.CCC(C)NC(C)=O.CCC(C)NC(C)=O.CCN(CC)CCC(=O)OC(C)(C)CC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.[K+].[Na+]
• InChI: InChI=1S/5C14H31NO4Si.2C13H25NO2.C12H25NO2.C8H16O5S.2C8H14O3.3C6H13NO.C6H12O2.K.Na/c5*1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;2*1-6-11(3)14-10-8-9-12(15)16-13(4,5)7-2;1-6-12(4,5)15-11(14)9-10-13(7-2)8-3;1-3-7(2)8(9)13-5-4-6-14(10,11)12;2*1-3-6(2)8(9)11-5-7-4-10-7;3*1-4-5(2)7-6(3)8;1-4-6(2,3)5(7)8;;/h5*13H,6-12H2,1-5H3,(H,15,16);2*6-10H2,1-5H3;6-10H2,1-5H3;7H,3-6H2,1-2H3,(H,10,11,12);2*6-7H,3-5H2,1-2H3;3*5H,4H2,1-3H3,(H,7,8);4H2,1-3H3,(H,7,8);;/q;;;;;;;;;;;;;;;2*+1/p-2/b;;;;;2*14-11+
• InChIKey: IMPHLZSJCUYHQY-GEOQYFPESA-L
• XLogP: 21.53
• TPSA: 679.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 103
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3259.92
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)?

The IUPAC name of potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate) (CID 158743530) is potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate).

What is the SMILES notation for potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)?

The canonical SMILES for potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate) is CC/C(C)=N/CCCC(=O)OC(C)(C)CC.CC/C(C)=N/CCCC(=O)OC(C)(C)CC.CCC(C)(C)C(=O)[O-].CCC(C)C(=O)OCC1CO1.CCC(C)C(=O)OCC1CO1.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)NC(C)=O.CCC(C)NC(C)=O.CCC(C)NC(C)=O.CCN(CC)CCC(=O)OC(C)(C)CC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)C(C)CC)(OCC)OCC.[K+].[Na+].

What is the InChIKey of potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)?

The InChIKey is IMPHLZSJCUYHQY-GEOQYFPESA-L. The full InChI is InChI=1S/5C14H31NO4Si.2C13H25NO2.C12H25NO2.C8H16O5S.2C8H14O3.3C6H13NO.C6H12O2.K.Na/c5*1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;2*1-6-11(3)14-10-8-9-12(15)16-13(4,5)7-2;1-6-12(4,5)15-11(14)9-10-13(7-2)8-3;1-3-7(2)8(9)13-5-4-6-14(10,11)12;2*1-3-6(2)8(9)11-5-7-4-10-7;3*1-4-5(2)7-6(3)8;1-4-6(2,3)5(7)8;;/h5*13H,6-12H2,1-5H3,(H,15,16);2*6-10H2,1-5H3;6-10H2,1-5H3;7H,3-6H2,1-2H3,(H,10,11,12);2*6-7H,3-5H2,1-2H3;3*5H,4H2,1-3H3,(H,7,8);4H2,1-3H3,(H,7,8);;/q;;;;;;;;;;;;;;;2*+1/p-2/b;;;;;2*14-11+;;;;;;;;;;.

What are the key properties of potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate)?

potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate) has a molecular weight of 3259.92 g/mol, XLogP of 21.53, 103 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;tris(N-butan-2-ylacetamide);2,2-dimethylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(2-methylbutan-2-yl 4-(butan-2-ylideneamino)butanoate);2-methylbutan-2-yl 3-(diethylamino)propanoate;pentakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);bis(oxiran-2-ylmethyl 2-methylbutanoate) is sourced from PubChem (CID 158743530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).