lithium methanidyl 2,2-dimethylpropanoate

C6H11LiO2 — CID 135049266

IUPAClithium methanidyl 2,2-dimethylpropanoate
SMILES[CH2-]OC(=O)C(C)(C)C.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-6(2,3)5(7)8-4;/h4H2,1-3H3;/q-1;+1
InChIKeyGAKUSALIZDWREB-UHFFFAOYSA-N
MW122.09 g/mol
LogP-1.63
Rot. Bonds

About lithium methanidyl 2,2-dimethylpropanoate

lithium methanidyl 2,2-dimethylpropanoate (PubChem CID 135049266) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium methanidyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namelithium methanidyl 2,2-dimethylpropanoate
PubChem CID135049266
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium methanidyl 2,2-dimethylpropanoate
SMILES[CH2-]OC(=O)C(C)(C)C.[Li+]
InChIInChI=1S/C6H11O2.Li/c1-6(2,3)5(7)8-4;/h4H2,1-3H3;/q-1;+1
InChIKeyGAKUSALIZDWREB-UHFFFAOYSA-N
XLogP-1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium methanidyl 2,2-dimethylpropanoate?
The IUPAC name of lithium methanidyl 2,2-dimethylpropanoate (CID 135049266) is lithium methanidyl 2,2-dimethylpropanoate.
What is the SMILES notation for lithium methanidyl 2,2-dimethylpropanoate?
The canonical SMILES for lithium methanidyl 2,2-dimethylpropanoate is [CH2-]OC(=O)C(C)(C)C.[Li+].
What is the InChIKey of lithium methanidyl 2,2-dimethylpropanoate?
The InChIKey is GAKUSALIZDWREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2.Li/c1-6(2,3)5(7)8-4;/h4H2,1-3H3;/q-1;+1.
What are the key properties of lithium methanidyl 2,2-dimethylpropanoate?
lithium methanidyl 2,2-dimethylpropanoate has a molecular weight of 122.09 g/mol, XLogP of -1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methanidyl 2,2-dimethylpropanoate is sourced from PubChem (CID 135049266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).