lithium bis(triethoxysilyl)methanesulfonic acid

C13H32LiO9SSi2+ — CID 22283870

IUPAClithium bis(triethoxysilyl)methanesulfonic acid
SMILESCCO[Si](OCC)(OCC)C([Si](OCC)(OCC)OCC)S(=O)(=O)O.[Li+]
InChIInChI=1S/C13H32O9SSi2.Li/c1-7-17-24(18-8-2,19-9-3)13(23(14,15)16)25(20-10-4,21-11-5)22-12-6;/h13H,7-12H2,1-6H3,(H,14,15,16);/q;+1
InChIKeyBQQFOVLACLLOPD-UHFFFAOYSA-N
MW427.57 g/mol
LogP-1.58
Rot. Bonds15

About lithium bis(triethoxysilyl)methanesulfonic acid

lithium bis(triethoxysilyl)methanesulfonic acid (PubChem CID 22283870) has the molecular formula C13H32LiO9SSi2+ and a molecular weight of 427.57 g/mol. Its IUPAC name is lithium bis(triethoxysilyl)methanesulfonic acid.

Molecular Properties

Compound Namelithium bis(triethoxysilyl)methanesulfonic acid
PubChem CID22283870
Molecular FormulaC13H32LiO9SSi2+
Molecular Weight427.57 g/mol
Exact Mass427.15
IUPAC Namelithium bis(triethoxysilyl)methanesulfonic acid
SMILESCCO[Si](OCC)(OCC)C([Si](OCC)(OCC)OCC)S(=O)(=O)O.[Li+]
InChIInChI=1S/C13H32O9SSi2.Li/c1-7-17-24(18-8-2,19-9-3)13(23(14,15)16)25(20-10-4,21-11-5)22-12-6;/h13H,7-12H2,1-6H3,(H,14,15,16);/q;+1
InChIKeyBQQFOVLACLLOPD-UHFFFAOYSA-N
XLogP-1.58
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium bis(triethoxysilyl)methanesulfonic acid?
The IUPAC name of lithium bis(triethoxysilyl)methanesulfonic acid (CID 22283870) is lithium bis(triethoxysilyl)methanesulfonic acid.
What is the SMILES notation for lithium bis(triethoxysilyl)methanesulfonic acid?
The canonical SMILES for lithium bis(triethoxysilyl)methanesulfonic acid is CCO[Si](OCC)(OCC)C([Si](OCC)(OCC)OCC)S(=O)(=O)O.[Li+].
What is the InChIKey of lithium bis(triethoxysilyl)methanesulfonic acid?
The InChIKey is BQQFOVLACLLOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O9SSi2.Li/c1-7-17-24(18-8-2,19-9-3)13(23(14,15)16)25(20-10-4,21-11-5)22-12-6;/h13H,7-12H2,1-6H3,(H,14,15,16);/q;+1.
What are the key properties of lithium bis(triethoxysilyl)methanesulfonic acid?
lithium bis(triethoxysilyl)methanesulfonic acid has a molecular weight of 427.57 g/mol, XLogP of -1.58, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(triethoxysilyl)methanesulfonic acid is sourced from PubChem (CID 22283870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).