dilithium;butan-1-olate

C4H8Li2O — CID 23704255

IUPACdilithium;butan-1-olate
SMILES[CH2-]CCC[O-].[Li+].[Li+]
InChIInChI=1S/C4H8O.2Li/c1-2-3-4-5;;/h1-4H2;;/q-2;2*+1
InChIKeyMKLFDLWZHQULKA-UHFFFAOYSA-N
MW85.99 g/mol
LogP-6.03
Rot. Bonds2

About dilithium;butan-1-olate

dilithium;butan-1-olate (PubChem CID 23704255) has the molecular formula C4H8Li2O and a molecular weight of 85.99 g/mol. Its IUPAC name is dilithium;butan-1-olate.

Molecular Properties

Compound Namedilithium;butan-1-olate
PubChem CID23704255
Molecular FormulaC4H8Li2O
Molecular Weight85.99 g/mol
Exact Mass86.09
IUPAC Namedilithium;butan-1-olate
SMILES[CH2-]CCC[O-].[Li+].[Li+]
InChIInChI=1S/C4H8O.2Li/c1-2-3-4-5;;/h1-4H2;;/q-2;2*+1
InChIKeyMKLFDLWZHQULKA-UHFFFAOYSA-N
XLogP-6.03
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.99
LogP ≤ 5-6.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lithium butan-1-olate
CID 23676864
CID 5489044
CID 5489044
Dilithium;pentan-1-olate
CID 166060208
CID 172792017
CID 172792017
Dilithium;butane-1,4-diolate
CID 175730719
CID 100984024
CID 100984024

Frequently Asked Questions

What is the IUPAC name of dilithium;butan-1-olate?
The IUPAC name of dilithium;butan-1-olate (CID 23704255) is dilithium;butan-1-olate.
What is the SMILES notation for dilithium;butan-1-olate?
The canonical SMILES for dilithium;butan-1-olate is [CH2-]CCC[O-].[Li+].[Li+].
What is the InChIKey of dilithium;butan-1-olate?
The InChIKey is MKLFDLWZHQULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2Li/c1-2-3-4-5;;/h1-4H2;;/q-2;2*+1.
What are the key properties of dilithium;butan-1-olate?
dilithium;butan-1-olate has a molecular weight of 85.99 g/mol, XLogP of -6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;butan-1-olate is sourced from PubChem (CID 23704255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).