dilithium;benzene

C6H4Li2 — CID 12742545

About dilithium;benzene

dilithium;benzene (PubChem CID 12742545) has the molecular formula C6H4Li2 and a molecular weight of 89.98 g/mol. Its IUPAC name is dilithium;benzene.

Molecular Properties

• Compound Name: dilithium;benzene
• PubChem CID: 12742545
• Molecular Formula: C6H4Li2
• Molecular Weight: 89.98 g/mol
• Exact Mass: 90.06
• IUPAC Name: dilithium;benzene
• SMILES: [Li+].[Li+].[c-]1cc[c-]cc1
• InChI: InChI=1S/C6H4.2Li/c1-2-4-6-5-3-1;;/h1-2,5-6H;;/q-2;2*+1
• InChIKey: SQKQCPSUIFYMCT-UHFFFAOYSA-N
• XLogP: -4.71
• TPSA: 0.00 Ų
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	89.98
LogP ≤ 5	-4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dilithium;benzene?

The IUPAC name of dilithium;benzene (CID 12742545) is dilithium;benzene.

What is the SMILES notation for dilithium;benzene?

The canonical SMILES for dilithium;benzene is [Li+].[Li+].[c-]1cc[c-]cc1.

What is the InChIKey of dilithium;benzene?

The InChIKey is SQKQCPSUIFYMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.2Li/c1-2-4-6-5-3-1;;/h1-2,5-6H;;/q-2;2*+1.

What are the key properties of dilithium;benzene?

dilithium;benzene has a molecular weight of 89.98 g/mol, XLogP of -4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;benzene is sourced from PubChem (CID 12742545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).