zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate

C22H22O10Zn — CID 54706141

IUPACzinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
SMILESO.O.O.O.O=C(O)c1ccc2ccccc2c1[O-].O=C(O)c1ccc2ccccc2c1[O-].[Zn+2]
InChIInChI=1S/2C11H8O3.4H2O.Zn/c2*12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;;;;;/h2*1-6,12H,(H,13,14);4*1H2;/q;;;;;;+2/p-2
InChIKeyWVOQOSLCSXIXCT-UHFFFAOYSA-L
MW511.80 g/mol
LogP-0.08
Rot. Bonds2

About zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate

zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate (PubChem CID 54706141) has the molecular formula C22H22O10Zn and a molecular weight of 511.80 g/mol. Its IUPAC name is zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate.

Molecular Properties

Compound Namezinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
PubChem CID54706141
Molecular FormulaC22H22O10Zn
Molecular Weight511.80 g/mol
Exact Mass510.05
IUPAC Namezinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
SMILESO.O.O.O.O=C(O)c1ccc2ccccc2c1[O-].O=C(O)c1ccc2ccccc2c1[O-].[Zn+2]
InChIInChI=1S/2C11H8O3.4H2O.Zn/c2*12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;;;;;/h2*1-6,12H,(H,13,14);4*1H2;/q;;;;;;+2/p-2
InChIKeyWVOQOSLCSXIXCT-UHFFFAOYSA-L
XLogP-0.08
TPSA246.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.80
LogP ≤ 5-0.08
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

naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
zinc;bis(1-carboxynaphthalen-2-olate);dihydrate
CID 54746329
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
1-sulfanylnaphthalene-2-carboxylic acid
CID 22336604
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
1H-benzo[g]indole-3-carboxylic acid
CID 12505804
3,6-dicarboxybenzene-1,2-diolate;manganese(2+)
CID 67068164
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
CID 54721974
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140

Frequently Asked Questions

What is the IUPAC name of zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate?
The IUPAC name of zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate (CID 54706141) is zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate.
What is the SMILES notation for zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate?
The canonical SMILES for zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate is O.O.O.O.O=C(O)c1ccc2ccccc2c1[O-].O=C(O)c1ccc2ccccc2c1[O-].[Zn+2].
What is the InChIKey of zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate?
The InChIKey is WVOQOSLCSXIXCT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8O3.4H2O.Zn/c2*12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14;;;;;/h2*1-6,12H,(H,13,14);4*1H2;/q;;;;;;+2/p-2.
What are the key properties of zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate?
zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate has a molecular weight of 511.80 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate is sourced from PubChem (CID 54706141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).