potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate

C150H328KN13NaO58PS2Si8 — CID 160565403

About potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate

potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate (PubChem CID 160565403) has the molecular formula C150H328KN13NaO58PS2Si8 and a molecular weight of 3624.19 g/mol. Its IUPAC name is potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate.

Molecular Properties

• Compound Name: potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate
• PubChem CID: 160565403
• Molecular Formula: C150H328KN13NaO58PS2Si8
• Molecular Weight: 3624.19 g/mol
• Exact Mass: 3621.00
• IUPAC Name: potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate
• SMILES: CCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)NCCO.CCC(C)C(=O)OC(C)(C)CS(=O)(=O)[O-].CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCP(=O)(O)O.CCC(C)C(N)=O.CCC(C)NC(C)=O.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.[K+].[Na+]
• InChI: InChI=1S/4C17H36N2O6Si.C9H18O5S.C8H16O5S.C7H15NO2.C7H15O5P.4C7H18O3Si.C6H13NO2.2C6H13NO.C5H11NO.K.Na/c4*1-6-15(5)16(20)18-12-13-22-17(21)19-11-10-14-26(23-7-2,24-8-3)25-9-4;1-5-7(2)8(10)14-9(3,4)6-15(11,12)13;1-3-7(2)8(9)13-5-4-6-14(10,11)12;1-3-6(2)7(10)8-4-5-9;1-3-6(2)7(8)12-4-5-13(9,10)11;4*1-6-7(2)11(8-3,9-4)10-5;1-3-6(2,4-8)5(7)9;1-4-6(2,3)5(7)8;1-4-5(2)7-6(3)8;1-3-4(2)5(6)7;;/h4*15H,6-14H2,1-5H3,(H,18,20)(H,19,21);7H,5-6H2,1-4H3,(H,11,12,13);7H,3-6H2,1-2H3,(H,10,11,12);6,9H,3-5H2,1-2H3,(H,8,10);6H,3-5H2,1-2H3,(H2,9,10,11);4*7H,6H2,1-5H3;8H,3-4H2,1-2H3,(H2,7,9);4H2,1-3H3,(H2,7,8);5H,4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H2,6,7);;/q;;;;;;;;;;;;;;;;2*+1/p-2
• InChIKey: QZVVSQTYFIDHCI-UHFFFAOYSA-L
• XLogP: 14.45
• TPSA: 970.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 56
• Rotatable Bonds: 109
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3624.19
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	56

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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate?

The IUPAC name of potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate (CID 160565403) is potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate.

What is the SMILES notation for potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate?

The canonical SMILES for potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate is CCC(C)(C)C(N)=O.CCC(C)(CO)C(N)=O.CCC(C)C(=O)NCCO.CCC(C)C(=O)OC(C)(C)CS(=O)(=O)[O-].CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCP(=O)(O)O.CCC(C)C(N)=O.CCC(C)NC(C)=O.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCC(C)[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)OCCNC(=O)C(C)CC)(OCC)OCC.[K+].[Na+].

What is the InChIKey of potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate?

The InChIKey is QZVVSQTYFIDHCI-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H36N2O6Si.C9H18O5S.C8H16O5S.C7H15NO2.C7H15O5P.4C7H18O3Si.C6H13NO2.2C6H13NO.C5H11NO.K.Na/c4*1-6-15(5)16(20)18-12-13-22-17(21)19-11-10-14-26(23-7-2,24-8-3)25-9-4;1-5-7(2)8(10)14-9(3,4)6-15(11,12)13;1-3-7(2)8(9)13-5-4-6-14(10,11)12;1-3-6(2)7(10)8-4-5-9;1-3-6(2)7(8)12-4-5-13(9,10)11;4*1-6-7(2)11(8-3,9-4)10-5;1-3-6(2,4-8)5(7)9;1-4-6(2,3)5(7)8;1-4-5(2)7-6(3)8;1-3-4(2)5(6)7;;/h4*15H,6-14H2,1-5H3,(H,18,20)(H,19,21);7H,5-6H2,1-4H3,(H,11,12,13);7H,3-6H2,1-2H3,(H,10,11,12);6,9H,3-5H2,1-2H3,(H,8,10);6H,3-5H2,1-2H3,(H2,9,10,11);4*7H,6H2,1-5H3;8H,3-4H2,1-2H3,(H2,7,9);4H2,1-3H3,(H2,7,8);5H,4H2,1-3H3,(H,7,8);4H,3H2,1-2H3,(H2,6,7);;/q;;;;;;;;;;;;;;;;2*+1/p-2.

What are the key properties of potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate?

potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate has a molecular weight of 3624.19 g/mol, XLogP of 14.45, 109 rotatable bonds, 17 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;N-butan-2-ylacetamide;tetrakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;N-(2-hydroxyethyl)-2-methylbutanamide;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tetrakis(2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate);2-(2-methylbutanoyloxy)ethylphosphonic acid;3-(2-methylbutanoyloxy)propane-1-sulfonate;2-methyl-2-(2-methylbutanoyloxy)propane-1-sulfonate is sourced from PubChem (CID 160565403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).