potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate

C123H269KN12O48S4Si6 — CID 160787696

IUPACpotassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate
SMILESCCC(C)(CO)C(N)=O.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCNC(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)C(N)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.[K+]
InChIInChI=1S/C18H38N2O6Si.C17H36N2O6Si.C14H30N2O6Si.2C13H31NO5SSi.C10H25NO5SSi.C8H16O5S.2C7H14O3.C6H13NO2.2C5H11NO.K/c1-7-18(5,6)16(21)23-14-13-20-17(22)19-12-11-15-27(24-8-2,25-9-3)26-10-4;1-6-15(5)16(20)22-13-12-19-17(21)18-11-10-14-26(23-7-2,24-8-3)25-9-4;1-6-12(2)13(17)22-10-9-16-14(18)15-8-7-11-23(19-3,20-4)21-5;2*1-6-13(5)20(15,16)14-11-10-12-21(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;1-3-7(2)8(9)13-5-4-6-14(10,11)12;2*1-3-6(2)7(9)10-5-4-8;1-3-6(2,4-8)5(7)9;2*1-3-4(2)5(6)7;/h7-15H2,1-6H3,(H2,19,20,22);15H,6-14H2,1-5H3,(H2,18,19,21);12H,6-11H2,1-5H3,(H2,15,16,18);2*13-14H,6-12H2,1-5H3;10-11H,6-9H2,1-5H3;7H,3-6H2,1-2H3,(H,10,11,12);2*6,8H,3-5H2,1-2H3;8H,3-4H2,1-2H3,(H2,7,9);2*4H,3H2,1-2H3,(H2,6,7);/q;;;;;;;;;;;;+1/p-1
InChIKeySBKQTIKKOZCSLC-UHFFFAOYSA-M
MW3020.42 g/mol
LogP10.98
Rot. Bonds99

About potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate

potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate (PubChem CID 160787696) has the molecular formula C123H269KN12O48S4Si6 and a molecular weight of 3020.42 g/mol. Its IUPAC name is potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate.

Molecular Properties

Compound Namepotassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate
PubChem CID160787696
Molecular FormulaC123H269KN12O48S4Si6
Molecular Weight3020.42 g/mol
Exact Mass3017.61
IUPAC Namepotassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate
SMILESCCC(C)(CO)C(N)=O.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCNC(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)C(N)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.[K+]
InChIInChI=1S/C18H38N2O6Si.C17H36N2O6Si.C14H30N2O6Si.2C13H31NO5SSi.C10H25NO5SSi.C8H16O5S.2C7H14O3.C6H13NO2.2C5H11NO.K/c1-7-18(5,6)16(21)23-14-13-20-17(22)19-12-11-15-27(24-8-2,25-9-3)26-10-4;1-6-15(5)16(20)22-13-12-19-17(21)18-11-10-14-26(23-7-2,24-8-3)25-9-4;1-6-12(2)13(17)22-10-9-16-14(18)15-8-7-11-23(19-3,20-4)21-5;2*1-6-13(5)20(15,16)14-11-10-12-21(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;1-3-7(2)8(9)13-5-4-6-14(10,11)12;2*1-3-6(2)7(9)10-5-4-8;1-3-6(2,4-8)5(7)9;2*1-3-4(2)5(6)7;/h7-15H2,1-6H3,(H2,19,20,22);15H,6-14H2,1-5H3,(H2,18,19,21);12H,6-11H2,1-5H3,(H2,15,16,18);2*13-14H,6-12H2,1-5H3;10-11H,6-9H2,1-5H3;7H,3-6H2,1-2H3,(H,10,11,12);2*6,8H,3-5H2,1-2H3;8H,3-4H2,1-2H3,(H2,7,9);2*4H,3H2,1-2H3,(H2,6,7);/q;;;;;;;;;;;;+1/p-1
InChIKeySBKQTIKKOZCSLC-UHFFFAOYSA-M
XLogP10.98
TPSA833.00 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds99
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003020.42
LogP ≤ 510.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate with MolForge

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Related Compounds

N-butan-2-ylacetamide;2,2-dimethylbutanamide;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate
CID 161291432
2-hydroxyethyl 2-methylbutanoate;2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);bis(2-(2-methylsulfanylethylcarbamoylamino)ethyl 2-methylbutanoate);N-(3-triethoxysilylpropyl)butane-2-sulfonamide
CID 157136435
2-hydroxyethyl 2-methylbutanoate;2-methylbutanamide;2-methyl-N-(3-triethoxysilylpropyl)butanamide;2-methyl-N-(3-triethoxysilylpropyl)butane-2-sulfonamide;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide
CID 158669984
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
potassium;sodium;N-butan-2-ylacetamide;4-butan-2-ylbenzenesulfonate;1-butan-2-ylpyrrolidin-2-one;pentakis(butan-2-yl(trimethoxy)silane);2,2-dimethylbutanamide;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;2-(hydroxymethyl)-2-methylbutanamide;2-methylbutanamide;tris(2-methyl-N-(3-trimethoxysilylpropyl)butanamide);N,N,2-trimethylbutanamide
CID 161184768
potassium 3-(2-methylbutanoyloxy)propane-1-sulfonate
CID 58819367
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
potassium 2-[2-methyl-3-[2-[1-(3-triethoxysilylpropylamino)ethenylamino]ethylsulfanyl]propanoyl]oxyethanesulfonate
CID 157454989
2-hydroxyethyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-triethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 91077038
2-[2-methyl-3-[2-[1-(3-triethoxysilylpropylamino)ethenylamino]ethylsulfanyl]propanoyl]oxyethanesulfonate
CID 58903437
2-(dimethylamino)ethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;3-trimethoxysilylpropyl 2,2-dimethylbutanoate
CID 159089434
2,2-dimethylbutanoic acid;methane;3-triethoxysilylpropyl 2,2-dimethylbutanoate
CID 158924041

Frequently Asked Questions

What is the IUPAC name of potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate?
The IUPAC name of potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate (CID 160787696) is potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate.
What is the SMILES notation for potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate?
The canonical SMILES for potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate is CCC(C)(CO)C(N)=O.CCC(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCNC(=O)NCCC[Si](OC)(OC)OC.CCC(C)C(=O)OCCO.CCC(C)C(=O)OCCO.CCC(C)C(N)=O.CCC(C)C(N)=O.CCC(C)S(=O)(=O)NCCC[Si](OC)(OC)OC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)(C)CC)(OCC)OCC.CCO[Si](CCCNC(=O)NCCOC(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.CCO[Si](CCCNS(=O)(=O)C(C)CC)(OCC)OCC.[K+].
What is the InChIKey of potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate?
The InChIKey is SBKQTIKKOZCSLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H38N2O6Si.C17H36N2O6Si.C14H30N2O6Si.2C13H31NO5SSi.C10H25NO5SSi.C8H16O5S.2C7H14O3.C6H13NO2.2C5H11NO.K/c1-7-18(5,6)16(21)23-14-13-20-17(22)19-12-11-15-27(24-8-2,25-9-3)26-10-4;1-6-15(5)16(20)22-13-12-19-17(21)18-11-10-14-26(23-7-2,24-8-3)25-9-4;1-6-12(2)13(17)22-10-9-16-14(18)15-8-7-11-23(19-3,20-4)21-5;2*1-6-13(5)20(15,16)14-11-10-12-21(17-7-2,18-8-3)19-9-4;1-6-10(2)17(12,13)11-8-7-9-18(14-3,15-4)16-5;1-3-7(2)8(9)13-5-4-6-14(10,11)12;2*1-3-6(2)7(9)10-5-4-8;1-3-6(2,4-8)5(7)9;2*1-3-4(2)5(6)7;/h7-15H2,1-6H3,(H2,19,20,22);15H,6-14H2,1-5H3,(H2,18,19,21);12H,6-11H2,1-5H3,(H2,15,16,18);2*13-14H,6-12H2,1-5H3;10-11H,6-9H2,1-5H3;7H,3-6H2,1-2H3,(H,10,11,12);2*6,8H,3-5H2,1-2H3;8H,3-4H2,1-2H3,(H2,7,9);2*4H,3H2,1-2H3,(H2,6,7);/q;;;;;;;;;;;;+1/p-1.
What are the key properties of potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate?
potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate has a molecular weight of 3020.42 g/mol, XLogP of 10.98, 99 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(2-hydroxyethyl 2-methylbutanoate);2-(hydroxymethyl)-2-methylbutanamide;bis(2-methylbutanamide);3-(2-methylbutanoyloxy)propane-1-sulfonate;bis(N-(3-triethoxysilylpropyl)butane-2-sulfonamide);2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2,2-dimethylbutanoate;2-(3-triethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate;N-(3-trimethoxysilylpropyl)butane-2-sulfonamide;2-(3-trimethoxysilylpropylcarbamoylamino)ethyl 2-methylbutanoate is sourced from PubChem (CID 160787696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).