carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum

C4H2HfO9Ta — CID 175230414

IUPACcarboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
SMILESO=C(O)OC(=O)OC(=O)OC(=O)O.[Hf].[Ta]
InChIInChI=1S/C4H2O9.Hf.Ta/c5-1(6)11-3(9)13-4(10)12-2(7)8;;/h(H,5,6)(H,7,8);;
InChIKeyNCVIICKPWJAXQF-UHFFFAOYSA-N
MW553.49 g/mol
LogP0.63
Rot. Bonds

About carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum

carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum (PubChem CID 175230414) has the molecular formula C4H2HfO9Ta and a molecular weight of 553.49 g/mol. Its IUPAC name is carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum.

Molecular Properties

Compound Namecarboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
PubChem CID175230414
Molecular FormulaC4H2HfO9Ta
Molecular Weight553.49 g/mol
Exact Mass554.86
IUPAC Namecarboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
SMILESO=C(O)OC(=O)OC(=O)OC(=O)O.[Hf].[Ta]
InChIInChI=1S/C4H2O9.Hf.Ta/c5-1(6)11-3(9)13-4(10)12-2(7)8;;/h(H,5,6)(H,7,8);;
InChIKeyNCVIICKPWJAXQF-UHFFFAOYSA-N
XLogP0.63
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.49
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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dicarboxy carbonate;2,3-dihydroxypropanal
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Frequently Asked Questions

What is the IUPAC name of carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum?
The IUPAC name of carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum (CID 175230414) is carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum.
What is the SMILES notation for carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum?
The canonical SMILES for carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum is O=C(O)OC(=O)OC(=O)OC(=O)O.[Hf].[Ta].
What is the InChIKey of carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum?
The InChIKey is NCVIICKPWJAXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O9.Hf.Ta/c5-1(6)11-3(9)13-4(10)12-2(7)8;;/h(H,5,6)(H,7,8);;.
What are the key properties of carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum?
carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum has a molecular weight of 553.49 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum is sourced from PubChem (CID 175230414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).