lithium;boric acid;ethanol;chloride

C2H9BClLiO4 — CID 174961340

IUPAClithium;boric acid;ethanol;chloride
SMILESCCO.OB(O)O.[Cl-].[Li+]
InChIInChI=1S/C2H6O.BH3O3.ClH.Li/c1-2-3;2-1(3)4;;/h3H,2H2,1H3;2-4H;1H;/q;;;+1/p-1
InChIKeyQWQSBENDYOESRX-UHFFFAOYSA-M
MW150.30 g/mol
LogP-8.05
Rot. Bonds

About lithium;boric acid;ethanol;chloride

lithium;boric acid;ethanol;chloride (PubChem CID 174961340) has the molecular formula C2H9BClLiO4 and a molecular weight of 150.30 g/mol. Its IUPAC name is lithium;boric acid;ethanol;chloride.

Molecular Properties

Compound Namelithium;boric acid;ethanol;chloride
PubChem CID174961340
Molecular FormulaC2H9BClLiO4
Molecular Weight150.30 g/mol
Exact Mass150.04
IUPAC Namelithium;boric acid;ethanol;chloride
SMILESCCO.OB(O)O.[Cl-].[Li+]
InChIInChI=1S/C2H6O.BH3O3.ClH.Li/c1-2-3;2-1(3)4;;/h3H,2H2,1H3;2-4H;1H;/q;;;+1/p-1
InChIKeyQWQSBENDYOESRX-UHFFFAOYSA-M
XLogP-8.05
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.30
LogP ≤ 5-8.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;boric acid;ethanol;chloride?
The IUPAC name of lithium;boric acid;ethanol;chloride (CID 174961340) is lithium;boric acid;ethanol;chloride.
What is the SMILES notation for lithium;boric acid;ethanol;chloride?
The canonical SMILES for lithium;boric acid;ethanol;chloride is CCO.OB(O)O.[Cl-].[Li+].
What is the InChIKey of lithium;boric acid;ethanol;chloride?
The InChIKey is QWQSBENDYOESRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O.BH3O3.ClH.Li/c1-2-3;2-1(3)4;;/h3H,2H2,1H3;2-4H;1H;/q;;;+1/p-1.
What are the key properties of lithium;boric acid;ethanol;chloride?
lithium;boric acid;ethanol;chloride has a molecular weight of 150.30 g/mol, XLogP of -8.05, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;boric acid;ethanol;chloride is sourced from PubChem (CID 174961340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).