lithium methoxymethanone

C2H3LiO2 — CID 154084308

IUPAClithium methoxymethanone
SMILESCO[C-]=O.[Li+]
InChIInChI=1S/C2H3O2.Li/c1-4-2-3;/h1H3;/q-1;+1
InChIKeyLWEORKOOHTZRGM-UHFFFAOYSA-N
MW65.98 g/mol
LogP-3.30
Rot. Bonds1

About lithium methoxymethanone

lithium methoxymethanone (PubChem CID 154084308) has the molecular formula C2H3LiO2 and a molecular weight of 65.98 g/mol. Its IUPAC name is lithium methoxymethanone.

Molecular Properties

Compound Namelithium methoxymethanone
PubChem CID154084308
Molecular FormulaC2H3LiO2
Molecular Weight65.98 g/mol
Exact Mass66.03
IUPAC Namelithium methoxymethanone
SMILESCO[C-]=O.[Li+]
InChIInChI=1S/C2H3O2.Li/c1-4-2-3;/h1H3;/q-1;+1
InChIKeyLWEORKOOHTZRGM-UHFFFAOYSA-N
XLogP-3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.98
LogP ≤ 5-3.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium methoxymethanone 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 methoxymethanone?
The IUPAC name of lithium methoxymethanone (CID 154084308) is lithium methoxymethanone.
What is the SMILES notation for lithium methoxymethanone?
The canonical SMILES for lithium methoxymethanone is CO[C-]=O.[Li+].
What is the InChIKey of lithium methoxymethanone?
The InChIKey is LWEORKOOHTZRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O2.Li/c1-4-2-3;/h1H3;/q-1;+1.
What are the key properties of lithium methoxymethanone?
lithium methoxymethanone has a molecular weight of 65.98 g/mol, XLogP of -3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methoxymethanone is sourced from PubChem (CID 154084308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).