lithium 1-hydroxyethanolate

C2H5LiO2 — CID 23664518

IUPAClithium 1-hydroxyethanolate
SMILESCC([O-])O.[Li+]
InChIInChI=1S/C2H5O2.Li/c1-2(3)4;/h2-3H,1H3;/q-1;+1
InChIKeyHGADNRGPRGTZHK-UHFFFAOYSA-N
MW68.00 g/mol
LogP-4.31
Rot. Bonds

About lithium 1-hydroxyethanolate

lithium 1-hydroxyethanolate (PubChem CID 23664518) has the molecular formula C2H5LiO2 and a molecular weight of 68.00 g/mol. Its IUPAC name is lithium 1-hydroxyethanolate.

Molecular Properties

Compound Namelithium 1-hydroxyethanolate
PubChem CID23664518
Molecular FormulaC2H5LiO2
Molecular Weight68.00 g/mol
Exact Mass68.04
IUPAC Namelithium 1-hydroxyethanolate
SMILESCC([O-])O.[Li+]
InChIInChI=1S/C2H5O2.Li/c1-2(3)4;/h2-3H,1H3;/q-1;+1
InChIKeyHGADNRGPRGTZHK-UHFFFAOYSA-N
XLogP-4.31
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.00
LogP ≤ 5-4.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-hydroxyethanolate?
The IUPAC name of lithium 1-hydroxyethanolate (CID 23664518) is lithium 1-hydroxyethanolate.
What is the SMILES notation for lithium 1-hydroxyethanolate?
The canonical SMILES for lithium 1-hydroxyethanolate is CC([O-])O.[Li+].
What is the InChIKey of lithium 1-hydroxyethanolate?
The InChIKey is HGADNRGPRGTZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2.Li/c1-2(3)4;/h2-3H,1H3;/q-1;+1.
What are the key properties of lithium 1-hydroxyethanolate?
lithium 1-hydroxyethanolate has a molecular weight of 68.00 g/mol, XLogP of -4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-hydroxyethanolate is sourced from PubChem (CID 23664518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).