lithium;zinc;tris(2,2-dimethylpropanoate);pyridine

C20H32LiNO6Zn — CID 139143810

IUPAClithium;zinc;tris(2,2-dimethylpropanoate);pyridine
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Li+].[Zn+2].c1ccncc1
InChIInChI=1S/C5H5N.3C5H10O2.Li.Zn/c1-2-4-6-5-3-1;3*1-5(2,3)4(6)7;;/h1-5H;3*1-3H3,(H,6,7);;/q;;;;+1;+2/p-3
InChIKeyDTDTVIYFRWVXOU-UHFFFAOYSA-K
MW454.81 g/mol
LogP-2.57
Rot. Bonds

About lithium;zinc;tris(2,2-dimethylpropanoate);pyridine

lithium;zinc;tris(2,2-dimethylpropanoate);pyridine (PubChem CID 139143810) has the molecular formula C20H32LiNO6Zn and a molecular weight of 454.81 g/mol. Its IUPAC name is lithium;zinc;tris(2,2-dimethylpropanoate);pyridine.

Molecular Properties

Compound Namelithium;zinc;tris(2,2-dimethylpropanoate);pyridine
PubChem CID139143810
Molecular FormulaC20H32LiNO6Zn
Molecular Weight454.81 g/mol
Exact Mass453.17
IUPAC Namelithium;zinc;tris(2,2-dimethylpropanoate);pyridine
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Li+].[Zn+2].c1ccncc1
InChIInChI=1S/C5H5N.3C5H10O2.Li.Zn/c1-2-4-6-5-3-1;3*1-5(2,3)4(6)7;;/h1-5H;3*1-3H3,(H,6,7);;/q;;;;+1;+2/p-3
InChIKeyDTDTVIYFRWVXOU-UHFFFAOYSA-K
XLogP-2.57
TPSA133.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.81
LogP ≤ 5-2.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
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iodanium 2,2-dimethylpropanoate
CID 172810367
2,2-dimethylpropanoate;palladium
CID 146681285
potassium 2,2-dimethylpropanoate
CID 23662159
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
acetyl bromide;pyridine
CID 87730061
formyl 2,2-dimethylpropanoate;bis(pyridine)
CID 175298462
bis(pyridine);sulfuric acid
CID 57357654
azane;carbonic acid;2-methylpropane;pyridine
CID 174640229

Frequently Asked Questions

What is the IUPAC name of lithium;zinc;tris(2,2-dimethylpropanoate);pyridine?
The IUPAC name of lithium;zinc;tris(2,2-dimethylpropanoate);pyridine (CID 139143810) is lithium;zinc;tris(2,2-dimethylpropanoate);pyridine.
What is the SMILES notation for lithium;zinc;tris(2,2-dimethylpropanoate);pyridine?
The canonical SMILES for lithium;zinc;tris(2,2-dimethylpropanoate);pyridine is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Li+].[Zn+2].c1ccncc1.
What is the InChIKey of lithium;zinc;tris(2,2-dimethylpropanoate);pyridine?
The InChIKey is DTDTVIYFRWVXOU-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5N.3C5H10O2.Li.Zn/c1-2-4-6-5-3-1;3*1-5(2,3)4(6)7;;/h1-5H;3*1-3H3,(H,6,7);;/q;;;;+1;+2/p-3.
What are the key properties of lithium;zinc;tris(2,2-dimethylpropanoate);pyridine?
lithium;zinc;tris(2,2-dimethylpropanoate);pyridine has a molecular weight of 454.81 g/mol, XLogP of -2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;zinc;tris(2,2-dimethylpropanoate);pyridine is sourced from PubChem (CID 139143810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).