potassium butan-1-olate

C4H9KO — CID 23699084

IUPACpotassium butan-1-olate
SMILESCCCC[O-].[K+]
InChIInChI=1S/C4H9O.K/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyCUQOHAYJWVTKDE-UHFFFAOYSA-N
MW112.21 g/mol
LogP-2.85
Rot. Bonds2

About potassium butan-1-olate

potassium butan-1-olate (PubChem CID 23699084) has the molecular formula C4H9KO and a molecular weight of 112.21 g/mol. Its IUPAC name is potassium butan-1-olate.

Molecular Properties

Compound Namepotassium butan-1-olate
PubChem CID23699084
Molecular FormulaC4H9KO
Molecular Weight112.21 g/mol
Exact Mass112.03
IUPAC Namepotassium butan-1-olate
SMILESCCCC[O-].[K+]
InChIInChI=1S/C4H9O.K/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyCUQOHAYJWVTKDE-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 ≤ 500112.21
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium butan-1-olate?
The IUPAC name of potassium butan-1-olate (CID 23699084) is potassium butan-1-olate.
What is the SMILES notation for potassium butan-1-olate?
The canonical SMILES for potassium butan-1-olate is CCCC[O-].[K+].
What is the InChIKey of potassium butan-1-olate?
The InChIKey is CUQOHAYJWVTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.K/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1.
What are the key properties of potassium butan-1-olate?
potassium butan-1-olate has a molecular weight of 112.21 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 potassium butan-1-olate is sourced from PubChem (CID 23699084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).