dilithium;benzoate

C7H4Li2O2 — CID 23674062

IUPACdilithium;benzoate
SMILESO=C([O-])c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C7H5O2.2Li/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;/q-1;2*+1/p-1
InChIKeySTRTYHFPJZLPGS-UHFFFAOYSA-M
MW133.99 g/mol
LogP-6.14
Rot. Bonds1

About dilithium;benzoate

dilithium;benzoate (PubChem CID 23674062) has the molecular formula C7H4Li2O2 and a molecular weight of 133.99 g/mol. Its IUPAC name is dilithium;benzoate.

Molecular Properties

Compound Namedilithium;benzoate
PubChem CID23674062
Molecular FormulaC7H4Li2O2
Molecular Weight133.99 g/mol
Exact Mass134.05
IUPAC Namedilithium;benzoate
SMILESO=C([O-])c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C7H5O2.2Li/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;/q-1;2*+1/p-1
InChIKeySTRTYHFPJZLPGS-UHFFFAOYSA-M
XLogP-6.14
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.99
LogP ≤ 5-6.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;benzoate?
The IUPAC name of dilithium;benzoate (CID 23674062) is dilithium;benzoate.
What is the SMILES notation for dilithium;benzoate?
The canonical SMILES for dilithium;benzoate is O=C([O-])c1[c-]cccc1.[Li+].[Li+].
What is the InChIKey of dilithium;benzoate?
The InChIKey is STRTYHFPJZLPGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5O2.2Li/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;/q-1;2*+1/p-1.
What are the key properties of dilithium;benzoate?
dilithium;benzoate has a molecular weight of 133.99 g/mol, XLogP of -6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;benzoate is sourced from PubChem (CID 23674062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).