sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium

C160H296NNaO57S2 — CID 157365738

About sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium

sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium (PubChem CID 157365738) has the molecular formula C160H296NNaO57S2 and a molecular weight of 3233.20 g/mol. Its IUPAC name is sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium.

Molecular Properties

• Compound Name: sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium
• PubChem CID: 157365738
• Molecular Formula: C160H296NNaO57S2
• Molecular Weight: 3233.20 g/mol
• Exact Mass: 3230.96
• IUPAC Name: sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium
• SMILES: CCC(C)(C)C(=O)OCC(C)O.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCCO.CCC(C)(C)C(=O)OCCO.CCC(C)(C)C(=O)OCCOC.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC.CCC(C)(C)C(=O)OCCOS(=O)(=O)[O-].CCC(C)C(=O)OCC(COCC(COC(=O)C(C)CC)(COC(=O)C(C)CC)COC(=O)C(C)CC)(COC(=O)C(C)CC)COC(=O)C(C)CC.CCC(C)C(=O)OCCOCC(COCCOC(=O)C(C)CC)(COCCOC(=O)C(C)CC)COCCOC(=O)C(C)CC.CCC(C)S([O-])(O)O.CCC(C)c1ccc(C(C)(C)C)cc1.C[N+](C)(C)C.[Na+]
• InChI: InChI=1S/C40H70O13.C33H60O12.C14H22.C13H22O6.C10H16O5.2C9H18O3.C8H16O6S.2C8H16O3.C4H12N.C4H12O3S.Na/c1-13-27(7)33(41)48-21-39(22-49-34(42)28(8)14-2,23-50-35(43)29(9)15-3)19-47-20-40(24-51-36(44)30(10)16-4,25-52-37(45)31(11)17-5)26-53-38(46)32(12)18-6;1-9-25(5)29(34)42-17-13-38-21-33(22-39-14-18-43-30(35)26(6)10-2,23-40-15-19-44-31(36)27(7)11-3)24-41-16-20-45-32(37)28(8)12-4;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-5-13(2,3)12(16)19-9-8-18-11(15)7-6-10(14)17-4;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-5-9(2,3)8(10)12-7-6-11-4;1-5-9(3,4)8(11)12-6-7(2)10;1-4-8(2,3)7(9)13-5-6-14-15(10,11)12;2*1-4-8(2,3)7(10)11-6-5-9;1-5(2,3)4;1-3-4(2)8(5,6)7;/h27-32H,13-26H2,1-12H3;25-28H,9-24H2,1-8H3;7-11H,6H2,1-5H3;5-9H2,1-4H3;7H,4-6H2,1-3H3;5-7H2,1-4H3;7,10H,5-6H2,1-4H3;4-6H2,1-3H3,(H,10,11,12);2*9H,4-6H2,1-3H3;1-4H3;4-7H,3H2,1-2H3;/q;;;;;;;;;;+1;;+1/p-2
• InChIKey: BJDRCUTUEVMUMU-UHFFFAOYSA-L
• XLogP: 22.68
• TPSA: 781.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 57
• Rotatable Bonds: 95
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3233.20
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium?

The IUPAC name of sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium (CID 157365738) is sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium.

What is the SMILES notation for sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium?

The canonical SMILES for sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium is CCC(C)(C)C(=O)OCC(C)O.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)C(=O)OCCO.CCC(C)(C)C(=O)OCCO.CCC(C)(C)C(=O)OCCOC.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC.CCC(C)(C)C(=O)OCCOS(=O)(=O)[O-].CCC(C)C(=O)OCC(COCC(COC(=O)C(C)CC)(COC(=O)C(C)CC)COC(=O)C(C)CC)(COC(=O)C(C)CC)COC(=O)C(C)CC.CCC(C)C(=O)OCCOCC(COCCOC(=O)C(C)CC)(COCCOC(=O)C(C)CC)COCCOC(=O)C(C)CC.CCC(C)S([O-])(O)O.CCC(C)c1ccc(C(C)(C)C)cc1.C[N+](C)(C)C.[Na+].

What is the InChIKey of sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium?

The InChIKey is BJDRCUTUEVMUMU-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H70O13.C33H60O12.C14H22.C13H22O6.C10H16O5.2C9H18O3.C8H16O6S.2C8H16O3.C4H12N.C4H12O3S.Na/c1-13-27(7)33(41)48-21-39(22-49-34(42)28(8)14-2,23-50-35(43)29(9)15-3)19-47-20-40(24-51-36(44)30(10)16-4,25-52-37(45)31(11)17-5)26-53-38(46)32(12)18-6;1-9-25(5)29(34)42-17-13-38-21-33(22-39-14-18-43-30(35)26(6)10-2,23-40-15-19-44-31(36)27(7)11-3)24-41-16-20-45-32(37)28(8)12-4;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-5-13(2,3)12(16)19-9-8-18-11(15)7-6-10(14)17-4;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-5-9(2,3)8(10)12-7-6-11-4;1-5-9(3,4)8(11)12-6-7(2)10;1-4-8(2,3)7(9)13-5-6-14-15(10,11)12;2*1-4-8(2,3)7(10)11-6-5-9;1-5(2,3)4;1-3-4(2)8(5,6)7;/h27-32H,13-26H2,1-12H3;25-28H,9-24H2,1-8H3;7-11H,6H2,1-5H3;5-9H2,1-4H3;7H,4-6H2,1-3H3;5-7H2,1-4H3;7,10H,5-6H2,1-4H3;4-6H2,1-3H3,(H,10,11,12);2*9H,4-6H2,1-3H3;1-4H3;4-7H,3H2,1-2H3;/q;;;;;;;;;;+1;;+1/p-2.

What are the key properties of sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium?

sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium has a molecular weight of 3233.20 g/mol, XLogP of 22.68, 95 rotatable bonds, 5 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-butan-2-yl-4-tert-butylbenzene;butan-2-yl-dihydroxy-oxido-λ4-sulfane;4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-methyl butanedioate;2-(2,2-dimethylbutanoyloxy)ethyl sulfate;bis(2-hydroxyethyl 2,2-dimethylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate;2-[3-[2-(2-methylbutanoyloxy)ethoxy]-2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]propoxy]ethyl 2-methylbutanoate;[3-(2-methylbutanoyloxy)-2-[[3-(2-methylbutanoyloxy)-2,2-bis(2-methylbutanoyloxymethyl)propoxy]methyl]-2-(2-methylbutanoyloxymethyl)propyl] 2-methylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetramethylazanium is sourced from PubChem (CID 157365738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).