disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium

C118H128NNa2O48- — CID 161009843

About disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium

disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium (PubChem CID 161009843) has the molecular formula C118H128NNa2O48- and a molecular weight of 2374.26 g/mol. Its IUPAC name is disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium.

Molecular Properties

• Compound Name: disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium
• PubChem CID: 161009843
• Molecular Formula: C118H128NNa2O48-
• Molecular Weight: 2374.26 g/mol
• Exact Mass: 2372.74
• IUPAC Name: disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium
• SMILES: CCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C(O)OC(C)(CC)OC3=O)C(=O)O4)OC2=O)=C(O)O1.CCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CCCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CCC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CC[N+](CC)(CC)CC.[Na+].[Na+]
• InChI: InChI=1S/C38H40O16.2C36H36O16.C8H20N.2Na/c1-5-17-35(3)47-27(39)23(28(40)48-35)13-9-7-11-15-25-31(43)51-37(52-32(25)44)19-21-38(22-20-37)53-33(45)26(34(46)54-38)16-12-8-10-14-24-29(41)49-36(4,18-6-2)50-30(24)42;2*1-5-33(3)45-25(37)21(26(38)46-33)13-9-7-11-15-23-29(41)49-35(50-30(23)42)17-19-36(20-18-35)51-31(43)24(32(44)52-36)16-12-8-10-14-22-27(39)47-34(4,6-2)48-28(22)40;1-5-9(6-2,7-3)8-4;;/h7-16,39,41H,5-6,17-22H2,1-4H3;2*7-16,37,39H,5-6,17-20H2,1-4H3;5-8H2,1-4H3;;/q;;;3*+1/p-4/b11-7+,12-8+,13-9+,14-10+,25-15-,26-16-;2*11-7+,12-8+,13-9+,14-10+,23-15-,24-16-
• InChIKey: IMGCKGAHPOHREN-LIDFHKCISA-J
• XLogP: 4.39
• TPSA: 661.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 48
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2374.26
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium?

The IUPAC name of disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium (CID 161009843) is disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium.

What is the SMILES notation for disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium?

The canonical SMILES for disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium is CCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C(O)OC(C)(CC)OC3=O)C(=O)O4)OC2=O)=C(O)O1.CCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CCCC1(C)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CCC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CC[N+](CC)(CC)CC.[Na+].[Na+].

What is the InChIKey of disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium?

The InChIKey is IMGCKGAHPOHREN-LIDFHKCISA-J. The full InChI is InChI=1S/C38H40O16.2C36H36O16.C8H20N.2Na/c1-5-17-35(3)47-27(39)23(28(40)48-35)13-9-7-11-15-25-31(43)51-37(52-32(25)44)19-21-38(22-20-37)53-33(45)26(34(46)54-38)16-12-8-10-14-24-29(41)49-36(4,18-6-2)50-30(24)42;2*1-5-33(3)45-25(37)21(26(38)46-33)13-9-7-11-15-23-29(41)49-35(50-30(23)42)17-19-36(20-18-35)51-31(43)24(32(44)52-36)16-12-8-10-14-22-27(39)47-34(4,6-2)48-28(22)40;1-5-9(6-2,7-3)8-4;;/h7-16,39,41H,5-6,17-22H2,1-4H3;2*7-16,37,39H,5-6,17-20H2,1-4H3;5-8H2,1-4H3;;/q;;;3*+1/p-4/b11-7+,12-8+,13-9+,14-10+,25-15-,26-16-;2*11-7+,12-8+,13-9+,14-10+,23-15-,24-16-;;;.

What are the key properties of disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium?

disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium has a molecular weight of 2374.26 g/mol, XLogP of 4.39, 30 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;3,12-bis[(2E,4E)-5-(2-ethyl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecane-2,4,11,13-tetrone;2-ethyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;2-methyl-5-[(1E,3E)-5-[12-[(2E,4E)-5-(2-methyl-4-oxido-6-oxo-2-propyl-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-6-oxo-2-propyl-1,3-dioxin-4-olate;tetraethylazanium is sourced from PubChem (CID 161009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).