lithium;ethanol;nitrate

C2H6LiNO4 — CID 19753329

IUPAClithium;ethanol;nitrate
SMILESCCO.O=[N+]([O-])[O-].[Li+]
InChIInChI=1S/C2H6O.Li.NO3/c1-2-3;;2-1(3)4/h3H,2H2,1H3;;/q;+1;-1
InChIKeyRWCZIJYKDVHVJE-UHFFFAOYSA-N
MW115.01 g/mol
LogP-3.24
Rot. Bonds

About lithium;ethanol;nitrate

lithium;ethanol;nitrate (PubChem CID 19753329) has the molecular formula C2H6LiNO4 and a molecular weight of 115.01 g/mol. Its IUPAC name is lithium;ethanol;nitrate.

Molecular Properties

Compound Namelithium;ethanol;nitrate
PubChem CID19753329
Molecular FormulaC2H6LiNO4
Molecular Weight115.01 g/mol
Exact Mass115.05
IUPAC Namelithium;ethanol;nitrate
SMILESCCO.O=[N+]([O-])[O-].[Li+]
InChIInChI=1S/C2H6O.Li.NO3/c1-2-3;;2-1(3)4/h3H,2H2,1H3;;/q;+1;-1
InChIKeyRWCZIJYKDVHVJE-UHFFFAOYSA-N
XLogP-3.24
TPSA86.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.01
LogP ≤ 5-3.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;ethanol;nitrate?
The IUPAC name of lithium;ethanol;nitrate (CID 19753329) is lithium;ethanol;nitrate.
What is the SMILES notation for lithium;ethanol;nitrate?
The canonical SMILES for lithium;ethanol;nitrate is CCO.O=[N+]([O-])[O-].[Li+].
What is the InChIKey of lithium;ethanol;nitrate?
The InChIKey is RWCZIJYKDVHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.Li.NO3/c1-2-3;;2-1(3)4/h3H,2H2,1H3;;/q;+1;-1.
What are the key properties of lithium;ethanol;nitrate?
lithium;ethanol;nitrate has a molecular weight of 115.01 g/mol, XLogP of -3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethanol;nitrate is sourced from PubChem (CID 19753329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).