lithium;2,2-diethoxyacetic acid;2-methylpropane

C10H21LiO4 — CID 158199649

IUPAClithium;2,2-diethoxyacetic acid;2-methylpropane
SMILESCCOC(OCC)C(=O)O.C[C-](C)C.[Li+]
InChIInChI=1S/C6H12O4.C4H9.Li/c1-3-9-6(5(7)8)10-4-2;1-4(2)3;/h6H,3-4H2,1-2H3,(H,7,8);1-3H3;/q;-1;+1
InChIKeyNWCYOVOCFDGYPF-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.91
Rot. Bonds5

About lithium;2,2-diethoxyacetic acid;2-methylpropane

lithium;2,2-diethoxyacetic acid;2-methylpropane (PubChem CID 158199649) has the molecular formula C10H21LiO4 and a molecular weight of 212.21 g/mol. Its IUPAC name is lithium;2,2-diethoxyacetic acid;2-methylpropane.

Molecular Properties

Compound Namelithium;2,2-diethoxyacetic acid;2-methylpropane
PubChem CID158199649
Molecular FormulaC10H21LiO4
Molecular Weight212.21 g/mol
Exact Mass212.16
IUPAC Namelithium;2,2-diethoxyacetic acid;2-methylpropane
SMILESCCOC(OCC)C(=O)O.C[C-](C)C.[Li+]
InChIInChI=1S/C6H12O4.C4H9.Li/c1-3-9-6(5(7)8)10-4-2;1-4(2)3;/h6H,3-4H2,1-2H3,(H,7,8);1-3H3;/q;-1;+1
InChIKeyNWCYOVOCFDGYPF-UHFFFAOYSA-N
XLogP-0.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze lithium;2,2-diethoxyacetic acid;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;2,2-diethoxyacetic acid;2-methylpropane?
The IUPAC name of lithium;2,2-diethoxyacetic acid;2-methylpropane (CID 158199649) is lithium;2,2-diethoxyacetic acid;2-methylpropane.
What is the SMILES notation for lithium;2,2-diethoxyacetic acid;2-methylpropane?
The canonical SMILES for lithium;2,2-diethoxyacetic acid;2-methylpropane is CCOC(OCC)C(=O)O.C[C-](C)C.[Li+].
What is the InChIKey of lithium;2,2-diethoxyacetic acid;2-methylpropane?
The InChIKey is NWCYOVOCFDGYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.C4H9.Li/c1-3-9-6(5(7)8)10-4-2;1-4(2)3;/h6H,3-4H2,1-2H3,(H,7,8);1-3H3;/q;-1;+1.
What are the key properties of lithium;2,2-diethoxyacetic acid;2-methylpropane?
lithium;2,2-diethoxyacetic acid;2-methylpropane has a molecular weight of 212.21 g/mol, XLogP of -0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,2-diethoxyacetic acid;2-methylpropane is sourced from PubChem (CID 158199649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).