dilithium;benzene-1,2-diolate

C6H4Li2O2 — CID 12557529

IUPACdilithium;benzene-1,2-diolate
SMILES[Li+].[Li+].[O-]c1ccccc1[O-]
InChIInChI=1S/C6H6O2.2Li/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;;/q;2*+1/p-2
InChIKeyKEFUAVZSBAROQQ-UHFFFAOYSA-L
MW121.98 g/mol
LogP-6.16
Rot. Bonds

About dilithium;benzene-1,2-diolate

dilithium;benzene-1,2-diolate (PubChem CID 12557529) has the molecular formula C6H4Li2O2 and a molecular weight of 121.98 g/mol. Its IUPAC name is dilithium;benzene-1,2-diolate.

Molecular Properties

Compound Namedilithium;benzene-1,2-diolate
PubChem CID12557529
Molecular FormulaC6H4Li2O2
Molecular Weight121.98 g/mol
Exact Mass122.05
IUPAC Namedilithium;benzene-1,2-diolate
SMILES[Li+].[Li+].[O-]c1ccccc1[O-]
InChIInChI=1S/C6H6O2.2Li/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;;/q;2*+1/p-2
InChIKeyKEFUAVZSBAROQQ-UHFFFAOYSA-L
XLogP-6.16
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.98
LogP ≤ 5-6.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dilithium;benzene-1,2-diolate?
The IUPAC name of dilithium;benzene-1,2-diolate (CID 12557529) is dilithium;benzene-1,2-diolate.
What is the SMILES notation for dilithium;benzene-1,2-diolate?
The canonical SMILES for dilithium;benzene-1,2-diolate is [Li+].[Li+].[O-]c1ccccc1[O-].
What is the InChIKey of dilithium;benzene-1,2-diolate?
The InChIKey is KEFUAVZSBAROQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O2.2Li/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;;/q;2*+1/p-2.
What are the key properties of dilithium;benzene-1,2-diolate?
dilithium;benzene-1,2-diolate has a molecular weight of 121.98 g/mol, XLogP of -6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;benzene-1,2-diolate is sourced from PubChem (CID 12557529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).