zinc bis(6-carboxynaphthalen-2-olate)

C22H14O6Zn — CID 54685888

IUPACzinc bis(6-carboxynaphthalen-2-olate)
SMILESO=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1ccc2cc([O-])ccc2c1.[Zn+2]
InChIInChI=1S/2C11H8O3.Zn/c2*12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;/h2*1-6,12H,(H,13,14);/q;;+2/p-2
InChIKeyLGBXRSIJICXMDL-UHFFFAOYSA-L
MW439.74 g/mol
LogP3.22
Rot. Bonds2

About zinc bis(6-carboxynaphthalen-2-olate)

zinc bis(6-carboxynaphthalen-2-olate) (PubChem CID 54685888) has the molecular formula C22H14O6Zn and a molecular weight of 439.74 g/mol. Its IUPAC name is zinc bis(6-carboxynaphthalen-2-olate).

Molecular Properties

Compound Namezinc bis(6-carboxynaphthalen-2-olate)
PubChem CID54685888
Molecular FormulaC22H14O6Zn
Molecular Weight439.74 g/mol
Exact Mass438.01
IUPAC Namezinc bis(6-carboxynaphthalen-2-olate)
SMILESO=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1ccc2cc([O-])ccc2c1.[Zn+2]
InChIInChI=1S/2C11H8O3.Zn/c2*12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;/h2*1-6,12H,(H,13,14);/q;;+2/p-2
InChIKeyLGBXRSIJICXMDL-UHFFFAOYSA-L
XLogP3.22
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
zinc bis(4-carboxyphenolate)
CID 54710984
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
hexacene-2-carboxylic acid
CID 87430666
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946

Frequently Asked Questions

What is the IUPAC name of zinc bis(6-carboxynaphthalen-2-olate)?
The IUPAC name of zinc bis(6-carboxynaphthalen-2-olate) (CID 54685888) is zinc bis(6-carboxynaphthalen-2-olate).
What is the SMILES notation for zinc bis(6-carboxynaphthalen-2-olate)?
The canonical SMILES for zinc bis(6-carboxynaphthalen-2-olate) is O=C(O)c1ccc2cc([O-])ccc2c1.O=C(O)c1ccc2cc([O-])ccc2c1.[Zn+2].
What is the InChIKey of zinc bis(6-carboxynaphthalen-2-olate)?
The InChIKey is LGBXRSIJICXMDL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8O3.Zn/c2*12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10;/h2*1-6,12H,(H,13,14);/q;;+2/p-2.
What are the key properties of zinc bis(6-carboxynaphthalen-2-olate)?
zinc bis(6-carboxynaphthalen-2-olate) has a molecular weight of 439.74 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(6-carboxynaphthalen-2-olate) is sourced from PubChem (CID 54685888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).