benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)

C34H66N4O16 — CID 67441557

IUPACbenzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)
SMILESCOCC[NH2+]CCOC.COCC[NH2+]CCOC.COCC[NH2+]CCOC.COCC[NH2+]CCOC.O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1C(=O)[O-]
InChIInChI=1S/C10H6O8.4C6H15NO2/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;4*1-8-5-3-7-4-6-9-2/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*7H,3-6H2,1-2H3
InChIKeyXCAZVMVYMINTTA-UHFFFAOYSA-N
MW786.91 g/mol
LogP-9.49
Rot. Bonds28

About benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)

benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium) (PubChem CID 67441557) has the molecular formula C34H66N4O16 and a molecular weight of 786.91 g/mol. Its IUPAC name is benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium).

Molecular Properties

Compound Namebenzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)
PubChem CID67441557
Molecular FormulaC34H66N4O16
Molecular Weight786.91 g/mol
Exact Mass786.45
IUPAC Namebenzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)
SMILESCOCC[NH2+]CCOC.COCC[NH2+]CCOC.COCC[NH2+]CCOC.COCC[NH2+]CCOC.O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1C(=O)[O-]
InChIInChI=1S/C10H6O8.4C6H15NO2/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;4*1-8-5-3-7-4-6-9-2/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*7H,3-6H2,1-2H3
InChIKeyXCAZVMVYMINTTA-UHFFFAOYSA-N
XLogP-9.49
TPSA300.80 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.91
LogP ≤ 5-9.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2,3-tricarboxylate;tris(bis(2-methoxyethyl)azanium)
CID 67180263
bis(2-methoxyethyl)azanium;2-hydroxyacetate
CID 87300456
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrakis(bis(2-methoxyethyl)azanium)
CID 140529116
bis(2-methoxyethyl)azanium tetrafluoroborate
CID 87299857
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173
trisodium;4-propan-2-ylbenzene-1,2,3-tricarboxylate
CID 67715339
3,4-bis(2-methylpropyl)phthalate
CID 22174396
disodium;3-tert-butyl-4-ethylphthalate
CID 139676080
bis(bis(2-methoxyethyl)azanium);(E)-but-2-enoate;2-hydroxy-2-phenylacetate
CID 143118982
2,3-bis(prop-1-en-2-yl)terephthalate
CID 22222062
disodium;3,4-diethylphthalate
CID 140970189
2-ethyl-4-methoxybenzoate
CID 23362607

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)?
The IUPAC name of benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium) (CID 67441557) is benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium).
What is the SMILES notation for benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)?
The canonical SMILES for benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium) is COCC[NH2+]CCOC.COCC[NH2+]CCOC.COCC[NH2+]CCOC.COCC[NH2+]CCOC.O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1C(=O)[O-].
What is the InChIKey of benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)?
The InChIKey is XCAZVMVYMINTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.4C6H15NO2/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;4*1-8-5-3-7-4-6-9-2/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*7H,3-6H2,1-2H3.
What are the key properties of benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)?
benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium) has a molecular weight of 786.91 g/mol, XLogP of -9.49, 28 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium) is sourced from PubChem (CID 67441557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).