potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane

C122H261KN7Na2O39SSi6- — CID 159989895

IUPACpotassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane
SMILESCCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCO.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(=O)[O-].CCC(C)N1CCCC1=O.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.C[CH-]CC.[CH2-]CC[Si](OCC)(OCC)OCC.[K+].[Na+].[Na+]
InChIInChI=1S/4C14H31NO4Si.C11H25NO4Si.C9H21O3Si.C8H15NO.C8H16O5S.C7H15NO2.2C7H14O3.C5H10O2.C4H9.K.2Na/c4*1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-6-10(2)11(13)12-8-7-9-17(14-3,15-4)16-5;1-5-9-13(10-6-2,11-7-3)12-8-4;1-3-7(2)9-6-4-5-8(9)10;1-3-7(2)8(9)13-5-4-6-14(10,11)12;1-3-6(2)7(10)8-4-5-9;2*1-3-6(2)7(9)10-5-4-8;1-3-4(2)5(6)7;1-3-4-2;;;/h4*13H,6-12H2,1-5H3,(H,15,16);10H,6-9H2,1-5H3,(H,12,13);1,5-9H2,2-4H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,10,11,12);6,9H,3-5H2,1-2H3,(H,8,10);2*6,8H,3-5H2,1-2H3;4H,3H2,1-2H3,(H,6,7);3H,4H2,1-2H3;;;/q;;;;;-1;;;;;;;-1;3*+1/p-2
InChIKeyJTSQQFRJZRMNJY-UHFFFAOYSA-L
MW2736.10 g/mol
LogP9.63
Rot. Bonds88

About potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane

potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane (PubChem CID 159989895) has the molecular formula C122H261KN7Na2O39SSi6- and a molecular weight of 2736.10 g/mol. Its IUPAC name is potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane.

Molecular Properties

Compound Namepotassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane
PubChem CID159989895
Molecular FormulaC122H261KN7Na2O39SSi6-
Molecular Weight2736.10 g/mol
Exact Mass2733.64
IUPAC Namepotassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane
SMILESCCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCO.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(=O)[O-].CCC(C)N1CCCC1=O.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.C[CH-]CC.[CH2-]CC[Si](OCC)(OCC)OCC.[K+].[Na+].[Na+]
InChIInChI=1S/4C14H31NO4Si.C11H25NO4Si.C9H21O3Si.C8H15NO.C8H16O5S.C7H15NO2.2C7H14O3.C5H10O2.C4H9.K.2Na/c4*1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-6-10(2)11(13)12-8-7-9-17(14-3,15-4)16-5;1-5-9-13(10-6-2,11-7-3)12-8-4;1-3-7(2)9-6-4-5-8(9)10;1-3-7(2)8(9)13-5-4-6-14(10,11)12;1-3-6(2)7(10)8-4-5-9;2*1-3-6(2)7(9)10-5-4-8;1-3-4(2)5(6)7;1-3-4-2;;;/h4*13H,6-12H2,1-5H3,(H,15,16);10H,6-9H2,1-5H3,(H,12,13);1,5-9H2,2-4H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,10,11,12);6,9H,3-5H2,1-2H3,(H,8,10);2*6,8H,3-5H2,1-2H3;4H,3H2,1-2H3,(H,6,7);3H,4H2,1-2H3;;;/q;;;;;-1;;;;;;;-1;3*+1/p-2
InChIKeyJTSQQFRJZRMNJY-UHFFFAOYSA-L
XLogP9.63
TPSA597.97 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds88
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002736.10
LogP ≤ 59.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane?
The IUPAC name of potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane (CID 159989895) is potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane.
What is the SMILES notation for potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane?
The canonical SMILES for potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane is CCC(C)C(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)NCCO.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(=O)[O-].CCC(C)N1CCCC1=O.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.C[CH-]CC.[CH2-]CC[Si](OCC)(OCC)OCC.[K+].[Na+].[Na+].
What is the InChIKey of potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane?
The InChIKey is JTSQQFRJZRMNJY-UHFFFAOYSA-L. The full InChI is InChI=1S/4C14H31NO4Si.C11H25NO4Si.C9H21O3Si.C8H15NO.C8H16O5S.C7H15NO2.2C7H14O3.C5H10O2.C4H9.K.2Na/c4*1-6-13(5)14(16)15-11-10-12-20(17-7-2,18-8-3)19-9-4;1-6-10(2)11(13)12-8-7-9-17(14-3,15-4)16-5;1-5-9-13(10-6-2,11-7-3)12-8-4;1-3-7(2)9-6-4-5-8(9)10;1-3-7(2)8(9)13-5-4-6-14(10,11)12;1-3-6(2)7(10)8-4-5-9;2*1-3-6(2)7(9)10-5-4-8;1-3-4(2)5(6)7;1-3-4-2;;;/h4*13H,6-12H2,1-5H3,(H,15,16);10H,6-9H2,1-5H3,(H,12,13);1,5-9H2,2-4H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,10,11,12);6,9H,3-5H2,1-2H3,(H,8,10);2*6,8H,3-5H2,1-2H3;4H,3H2,1-2H3,(H,6,7);3H,4H2,1-2H3;;;/q;;;;;-1;;;;;;;-1;3*+1/p-2.
What are the key properties of potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane?
potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane has a molecular weight of 2736.10 g/mol, XLogP of 9.63, 88 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;disodium;butane;1-butan-2-ylpyrrolidin-2-one;N-(2-hydroxyethyl)-2-methylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-methylbutanoate;3-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-methyl-N-(3-triethoxysilylpropyl)butanamide);2-methyl-N-(3-trimethoxysilylpropyl)butanamide;triethoxy(propyl)silane is sourced from PubChem (CID 159989895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).