lithium;ethyl formate;hydroxide

C3H7LiO3 — CID 174914217

IUPAClithium;ethyl formate;hydroxide
SMILESCCOC=O.[Li+].[OH-]
InChIInChI=1S/C3H6O2.Li.H2O/c1-2-5-3-4;;/h3H,2H2,1H3;;1H2/q;+1;/p-1
InChIKeyLJTSXBBIDVBUKY-UHFFFAOYSA-M
MW98.03 g/mol
LogP-2.99
Rot. Bonds2

About lithium;ethyl formate;hydroxide

lithium;ethyl formate;hydroxide (PubChem CID 174914217) has the molecular formula C3H7LiO3 and a molecular weight of 98.03 g/mol. Its IUPAC name is lithium;ethyl formate;hydroxide.

Molecular Properties

Compound Namelithium;ethyl formate;hydroxide
PubChem CID174914217
Molecular FormulaC3H7LiO3
Molecular Weight98.03 g/mol
Exact Mass98.06
IUPAC Namelithium;ethyl formate;hydroxide
SMILESCCOC=O.[Li+].[OH-]
InChIInChI=1S/C3H6O2.Li.H2O/c1-2-5-3-4;;/h3H,2H2,1H3;;1H2/q;+1;/p-1
InChIKeyLJTSXBBIDVBUKY-UHFFFAOYSA-M
XLogP-2.99
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.03
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;ethyl formate;hydroxide?
The IUPAC name of lithium;ethyl formate;hydroxide (CID 174914217) is lithium;ethyl formate;hydroxide.
What is the SMILES notation for lithium;ethyl formate;hydroxide?
The canonical SMILES for lithium;ethyl formate;hydroxide is CCOC=O.[Li+].[OH-].
What is the InChIKey of lithium;ethyl formate;hydroxide?
The InChIKey is LJTSXBBIDVBUKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2.Li.H2O/c1-2-5-3-4;;/h3H,2H2,1H3;;1H2/q;+1;/p-1.
What are the key properties of lithium;ethyl formate;hydroxide?
lithium;ethyl formate;hydroxide has a molecular weight of 98.03 g/mol, XLogP of -2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl formate;hydroxide is sourced from PubChem (CID 174914217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).