dipotassium;naphthalene-1,4-dicarboxylate

C12H6K2O4 — CID 101297429

IUPACdipotassium;naphthalene-1,4-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)[O-])c2ccccc12.[K+].[K+]
InChIInChI=1S/C12H8O4.2K/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;;/h1-6H,(H,13,14)(H,15,16);;/q;2*+1/p-2
InChIKeyKKSSHFGCRQXWKP-UHFFFAOYSA-L
MW292.37 g/mol
LogP-6.43
Rot. Bonds2

About dipotassium;naphthalene-1,4-dicarboxylate

dipotassium;naphthalene-1,4-dicarboxylate (PubChem CID 101297429) has the molecular formula C12H6K2O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is dipotassium;naphthalene-1,4-dicarboxylate.

Molecular Properties

Compound Namedipotassium;naphthalene-1,4-dicarboxylate
PubChem CID101297429
Molecular FormulaC12H6K2O4
Molecular Weight292.37 g/mol
Exact Mass291.95
IUPAC Namedipotassium;naphthalene-1,4-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)[O-])c2ccccc12.[K+].[K+]
InChIInChI=1S/C12H8O4.2K/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;;/h1-6H,(H,13,14)(H,15,16);;/q;2*+1/p-2
InChIKeyKKSSHFGCRQXWKP-UHFFFAOYSA-L
XLogP-6.43
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 5-6.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
4-(dimethylamino)naphthalene-1-carboxylate
CID 7005026
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
mercury(2+);bis(5-methylnaphthalene-1-carboxylate)
CID 22604523
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173

Frequently Asked Questions

What is the IUPAC name of dipotassium;naphthalene-1,4-dicarboxylate?
The IUPAC name of dipotassium;naphthalene-1,4-dicarboxylate (CID 101297429) is dipotassium;naphthalene-1,4-dicarboxylate.
What is the SMILES notation for dipotassium;naphthalene-1,4-dicarboxylate?
The canonical SMILES for dipotassium;naphthalene-1,4-dicarboxylate is O=C([O-])c1ccc(C(=O)[O-])c2ccccc12.[K+].[K+].
What is the InChIKey of dipotassium;naphthalene-1,4-dicarboxylate?
The InChIKey is KKSSHFGCRQXWKP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8O4.2K/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;;/h1-6H,(H,13,14)(H,15,16);;/q;2*+1/p-2.
What are the key properties of dipotassium;naphthalene-1,4-dicarboxylate?
dipotassium;naphthalene-1,4-dicarboxylate has a molecular weight of 292.37 g/mol, XLogP of -6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;naphthalene-1,4-dicarboxylate is sourced from PubChem (CID 101297429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).