dilithium;butane-1,4-diolate

C4H8Li2O2 — CID 175730719

IUPACdilithium;butane-1,4-diolate
SMILES[Li+].[Li+].[O-]CCCC[O-]
InChIInChI=1S/C4H8O2.2Li/c5-3-1-2-4-6;;/h1-4H2;;/q-2;2*+1
InChIKeyDFKZINMUMNMXCT-UHFFFAOYSA-N
MW101.99 g/mol
LogP-7.50
Rot. Bonds3

About dilithium;butane-1,4-diolate

dilithium;butane-1,4-diolate (PubChem CID 175730719) has the molecular formula C4H8Li2O2 and a molecular weight of 101.99 g/mol. Its IUPAC name is dilithium;butane-1,4-diolate.

Molecular Properties

Compound Namedilithium;butane-1,4-diolate
PubChem CID175730719
Molecular FormulaC4H8Li2O2
Molecular Weight101.99 g/mol
Exact Mass102.08
IUPAC Namedilithium;butane-1,4-diolate
SMILES[Li+].[Li+].[O-]CCCC[O-]
InChIInChI=1S/C4H8O2.2Li/c5-3-1-2-4-6;;/h1-4H2;;/q-2;2*+1
InChIKeyDFKZINMUMNMXCT-UHFFFAOYSA-N
XLogP-7.50
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.99
LogP ≤ 5-7.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;butane-1,4-diolate?
The IUPAC name of dilithium;butane-1,4-diolate (CID 175730719) is dilithium;butane-1,4-diolate.
What is the SMILES notation for dilithium;butane-1,4-diolate?
The canonical SMILES for dilithium;butane-1,4-diolate is [Li+].[Li+].[O-]CCCC[O-].
What is the InChIKey of dilithium;butane-1,4-diolate?
The InChIKey is DFKZINMUMNMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2Li/c5-3-1-2-4-6;;/h1-4H2;;/q-2;2*+1.
What are the key properties of dilithium;butane-1,4-diolate?
dilithium;butane-1,4-diolate has a molecular weight of 101.99 g/mol, XLogP of -7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;butane-1,4-diolate is sourced from PubChem (CID 175730719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).