dipotassium;terephthalate

C8H4K2O4 — CID 25981

IUPACdipotassium;terephthalate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[K+].[K+]
InChIInChI=1S/C8H6O4.2K/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
InChIKeyLRUDDHYVRFQYCN-UHFFFAOYSA-L
MW242.31 g/mol
LogP-7.58
Rot. Bonds2

About dipotassium;terephthalate

dipotassium;terephthalate (PubChem CID 25981) has the molecular formula C8H4K2O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is dipotassium;terephthalate.

Molecular Properties

Compound Namedipotassium;terephthalate
PubChem CID25981
Molecular FormulaC8H4K2O4
Molecular Weight242.31 g/mol
Exact Mass241.94
IUPAC Namedipotassium;terephthalate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[K+].[K+]
InChIInChI=1S/C8H6O4.2K/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
InChIKeyLRUDDHYVRFQYCN-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 ≤ 500242.31
LogP ≤ 5-7.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dilithium;terephthalate
CID 14361651
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
potassium 4-(bromomethyl)benzoate
CID 102001978
dipotassium;4-(oxomethyl)benzoate;hydroxide
CID 153494101
potassium 4-sulfamoylbenzoate
CID 23684074

Frequently Asked Questions

What is the IUPAC name of dipotassium;terephthalate?
The IUPAC name of dipotassium;terephthalate (CID 25981) is dipotassium;terephthalate.
What is the SMILES notation for dipotassium;terephthalate?
The canonical SMILES for dipotassium;terephthalate is O=C([O-])c1ccc(C(=O)[O-])cc1.[K+].[K+].
What is the InChIKey of dipotassium;terephthalate?
The InChIKey is LRUDDHYVRFQYCN-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.2K/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 dipotassium;terephthalate?
dipotassium;terephthalate has a molecular weight of 242.31 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 dipotassium;terephthalate is sourced from PubChem (CID 25981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).