dilithium;terephthalate

C8H4Li2O4 — CID 14361651

IUPACdilithium;terephthalate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[Li+].[Li+]
InChIInChI=1S/C8H6O4.2Li/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyRCRBCNZJGBTYDI-UHFFFAOYSA-L
MW178.00 g/mol
LogP-7.58
Rot. Bonds2

About dilithium;terephthalate

dilithium;terephthalate (PubChem CID 14361651) has the molecular formula C8H4Li2O4 and a molecular weight of 178.00 g/mol. Its IUPAC name is dilithium;terephthalate.

Molecular Properties

Compound Namedilithium;terephthalate
PubChem CID14361651
Molecular FormulaC8H4Li2O4
Molecular Weight178.00 g/mol
Exact Mass178.04
IUPAC Namedilithium;terephthalate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[Li+].[Li+]
InChIInChI=1S/C8H6O4.2Li/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyRCRBCNZJGBTYDI-UHFFFAOYSA-L
XLogP-7.58
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 5-7.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dilithium;terephthalate 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

dipotassium;terephthalate
CID 25981
terephthalate;vanadium(4+)
CID 157213578
azanium;sodium;terephthalate
CID 18352242
disodium;ethene;terephthalate
CID 175257755
disodium;4-(4-carboxylatobenzoyl)benzoate
CID 20554629
cesium 4-hydroxybenzoate
CID 162003528
disodium;4-(4-carboxylatophenyl)benzoate;hydrate
CID 139638237
ethane-1,2-diol;iron(2+);terephthalate
CID 174939039
dipotassium;4-sulfonatobenzoate
CID 112758441
magnesium 4-sulfonatobenzoate
CID 162314428
lithium 4-propan-2-ylbenzoate
CID 58547643
potassium 4-sulfamoylbenzoate
CID 23684074

Frequently Asked Questions

What is the IUPAC name of dilithium;terephthalate?
The IUPAC name of dilithium;terephthalate (CID 14361651) is dilithium;terephthalate.
What is the SMILES notation for dilithium;terephthalate?
The canonical SMILES for dilithium;terephthalate is O=C([O-])c1ccc(C(=O)[O-])cc1.[Li+].[Li+].
What is the InChIKey of dilithium;terephthalate?
The InChIKey is RCRBCNZJGBTYDI-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.2Li/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of dilithium;terephthalate?
dilithium;terephthalate has a molecular weight of 178.00 g/mol, XLogP of -7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;terephthalate is sourced from PubChem (CID 14361651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).