tetralithium;propane-1,1,1,2-tetracarboxylate

C7H4Li4O8 — CID 158646028

IUPACtetralithium;propane-1,1,1,2-tetracarboxylate
SMILESCC(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C7H8O8.4Li/c1-2(3(8)9)7(4(10)11,5(12)13)6(14)15;;;;/h2H,1H3,(H,8,9)(H,10,11)(H,12,13)(H,14,15);;;;/q;4*+1/p-4
InChIKeyIAZBOGPVRFHEGX-UHFFFAOYSA-J
MW243.86 g/mol
LogP-18.38
Rot. Bonds5

About tetralithium;propane-1,1,1,2-tetracarboxylate

tetralithium;propane-1,1,1,2-tetracarboxylate (PubChem CID 158646028) has the molecular formula C7H4Li4O8 and a molecular weight of 243.86 g/mol. Its IUPAC name is tetralithium;propane-1,1,1,2-tetracarboxylate.

Molecular Properties

Compound Nametetralithium;propane-1,1,1,2-tetracarboxylate
PubChem CID158646028
Molecular FormulaC7H4Li4O8
Molecular Weight243.86 g/mol
Exact Mass244.05
IUPAC Nametetralithium;propane-1,1,1,2-tetracarboxylate
SMILESCC(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C7H8O8.4Li/c1-2(3(8)9)7(4(10)11,5(12)13)6(14)15;;;;/h2H,1H3,(H,8,9)(H,10,11)(H,12,13)(H,14,15);;;;/q;4*+1/p-4
InChIKeyIAZBOGPVRFHEGX-UHFFFAOYSA-J
XLogP-18.38
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.86
LogP ≤ 5-18.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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dipotassium;dizinc;hexakis(2-hydroxypropanoate)
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barium(2+);bis(2-methylpropanoate)
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tris(2-methylpropanoate);thallium(3+)
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(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
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CID 102602609
lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate
CID 175336599

Frequently Asked Questions

What is the IUPAC name of tetralithium;propane-1,1,1,2-tetracarboxylate?
The IUPAC name of tetralithium;propane-1,1,1,2-tetracarboxylate (CID 158646028) is tetralithium;propane-1,1,1,2-tetracarboxylate.
What is the SMILES notation for tetralithium;propane-1,1,1,2-tetracarboxylate?
The canonical SMILES for tetralithium;propane-1,1,1,2-tetracarboxylate is CC(C(=O)[O-])C(C(=O)[O-])(C(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of tetralithium;propane-1,1,1,2-tetracarboxylate?
The InChIKey is IAZBOGPVRFHEGX-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H8O8.4Li/c1-2(3(8)9)7(4(10)11,5(12)13)6(14)15;;;;/h2H,1H3,(H,8,9)(H,10,11)(H,12,13)(H,14,15);;;;/q;4*+1/p-4.
What are the key properties of tetralithium;propane-1,1,1,2-tetracarboxylate?
tetralithium;propane-1,1,1,2-tetracarboxylate has a molecular weight of 243.86 g/mol, XLogP of -18.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;propane-1,1,1,2-tetracarboxylate is sourced from PubChem (CID 158646028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).