dilithium;ethane-1,2-diol;sulfate

C2H6Li2O6S — CID 162076441

IUPACdilithium;ethane-1,2-diol;sulfate
SMILESO=S(=O)([O-])[O-].OCCO.[Li+].[Li+]
InChIInChI=1S/C2H6O2.2Li.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyZBTODZUBAKPMKT-UHFFFAOYSA-L
MW172.01 g/mol
LogP-8.36
Rot. Bonds1

About dilithium;ethane-1,2-diol;sulfate

dilithium;ethane-1,2-diol;sulfate (PubChem CID 162076441) has the molecular formula C2H6Li2O6S and a molecular weight of 172.01 g/mol. Its IUPAC name is dilithium;ethane-1,2-diol;sulfate.

Molecular Properties

Compound Namedilithium;ethane-1,2-diol;sulfate
PubChem CID162076441
Molecular FormulaC2H6Li2O6S
Molecular Weight172.01 g/mol
Exact Mass172.02
IUPAC Namedilithium;ethane-1,2-diol;sulfate
SMILESO=S(=O)([O-])[O-].OCCO.[Li+].[Li+]
InChIInChI=1S/C2H6O2.2Li.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyZBTODZUBAKPMKT-UHFFFAOYSA-L
XLogP-8.36
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.01
LogP ≤ 5-8.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dilithium;ethane-1,2-diol;sulfate?
The IUPAC name of dilithium;ethane-1,2-diol;sulfate (CID 162076441) is dilithium;ethane-1,2-diol;sulfate.
What is the SMILES notation for dilithium;ethane-1,2-diol;sulfate?
The canonical SMILES for dilithium;ethane-1,2-diol;sulfate is O=S(=O)([O-])[O-].OCCO.[Li+].[Li+].
What is the InChIKey of dilithium;ethane-1,2-diol;sulfate?
The InChIKey is ZBTODZUBAKPMKT-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O2.2Li.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dilithium;ethane-1,2-diol;sulfate?
dilithium;ethane-1,2-diol;sulfate has a molecular weight of 172.01 g/mol, XLogP of -8.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;ethane-1,2-diol;sulfate is sourced from PubChem (CID 162076441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).