lithium butan-1-olate

C4H9LiO — CID 23676864

IUPAClithium butan-1-olate
SMILESCCCC[O-].[Li+]
InChIInChI=1S/C4H9O.Li/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyLTRVAZKHJRYLRJ-UHFFFAOYSA-N
MW80.06 g/mol
LogP-2.85
Rot. Bonds2

About lithium butan-1-olate

lithium butan-1-olate (PubChem CID 23676864) has the molecular formula C4H9LiO and a molecular weight of 80.06 g/mol. Its IUPAC name is lithium butan-1-olate.

Molecular Properties

Compound Namelithium butan-1-olate
PubChem CID23676864
Molecular FormulaC4H9LiO
Molecular Weight80.06 g/mol
Exact Mass80.08
IUPAC Namelithium butan-1-olate
SMILESCCCC[O-].[Li+]
InChIInChI=1S/C4H9O.Li/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyLTRVAZKHJRYLRJ-UHFFFAOYSA-N
XLogP-2.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.06
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Butyl methyl ether
CID 12338
Sodium n-butylate
CID 23669364
n-Butoxy radical
CID 140467
Fluorobutylate
CID 18429097
Potassium butoxide
CID 23699084
Butyl hypochlorite
CID 13752033
Butan-1-olate
CID 12476378
Lithium amylate
CID 18462829
Thiobutylate
CID 19906519
Butoxy iodide
CID 20225440
Butyloxyl bromide
CID 20226739
Dilithium;butan-1-olate
CID 23704255

Frequently Asked Questions

What is the IUPAC name of lithium butan-1-olate?
The IUPAC name of lithium butan-1-olate (CID 23676864) is lithium butan-1-olate.
What is the SMILES notation for lithium butan-1-olate?
The canonical SMILES for lithium butan-1-olate is CCCC[O-].[Li+].
What is the InChIKey of lithium butan-1-olate?
The InChIKey is LTRVAZKHJRYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Li/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1.
What are the key properties of lithium butan-1-olate?
lithium butan-1-olate has a molecular weight of 80.06 g/mol, XLogP of -2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butan-1-olate is sourced from PubChem (CID 23676864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).