dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate

C6Li2O10 — CID 175143066

IUPACdilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate
SMILESO=C([O-])C(=O)OC(=O)C(=O)OC(=O)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C6H2O10.2Li/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;/h(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyMEPDMWJHOSNXFI-UHFFFAOYSA-L
MW245.94 g/mol
LogP-11.37
Rot. Bonds

About dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate

dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate (PubChem CID 175143066) has the molecular formula C6Li2O10 and a molecular weight of 245.94 g/mol. Its IUPAC name is dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate.

Molecular Properties

Compound Namedilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate
PubChem CID175143066
Molecular FormulaC6Li2O10
Molecular Weight245.94 g/mol
Exact Mass245.98
IUPAC Namedilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate
SMILESO=C([O-])C(=O)OC(=O)C(=O)OC(=O)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C6H2O10.2Li/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;/h(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyMEPDMWJHOSNXFI-UHFFFAOYSA-L
XLogP-11.37
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.94
LogP ≤ 5-11.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

cesium;potassium;carboxylatooxycarbonyl carbonate
CID 174165319
dilithium;potassium;carbonate;fluoride
CID 173436543
dilithium;oxalate;titanium(4+)
CID 173348725
lithium;hydron;oxalate
CID 22141737
tetralithium;methane;oxalate
CID 174903664
CID 156695034
CID 156695034
dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 173339501
aluminum;tris(2-aminooxy-2-oxoacetate);titanium
CID 173298818
carboxylatooxycarbonyl carbonate;bis(gadolinium(3+))
CID 170843196
lithium;dipotassium;methanolate;carbonate
CID 174805423
potassium 2-ethoxy-2-oxoacetate
CID 23678856
potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
CID 75527807

Frequently Asked Questions

What is the IUPAC name of dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate?
The IUPAC name of dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate (CID 175143066) is dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate.
What is the SMILES notation for dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate?
The canonical SMILES for dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate is O=C([O-])C(=O)OC(=O)C(=O)OC(=O)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate?
The InChIKey is MEPDMWJHOSNXFI-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H2O10.2Li/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;/h(H,7,8)(H,9,10);;/q;2*+1/p-2.
What are the key properties of dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate?
dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate has a molecular weight of 245.94 g/mol, XLogP of -11.37, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate is sourced from PubChem (CID 175143066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).