potassium butan-2-olate

C4H9KO — CID 23694743

IUPACpotassium butan-2-olate
SMILESCCC(C)[O-].[K+]
InChIInChI=1S/C4H9O.K/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyZUPDNLCLXSWMAE-UHFFFAOYSA-N
MW112.21 g/mol
LogP-2.85
Rot. Bonds1

About potassium butan-2-olate

potassium butan-2-olate (PubChem CID 23694743) has the molecular formula C4H9KO and a molecular weight of 112.21 g/mol. Its IUPAC name is potassium butan-2-olate.

Molecular Properties

Compound Namepotassium butan-2-olate
PubChem CID23694743
Molecular FormulaC4H9KO
Molecular Weight112.21 g/mol
Exact Mass112.03
IUPAC Namepotassium butan-2-olate
SMILESCCC(C)[O-].[K+]
InChIInChI=1S/C4H9O.K/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyZUPDNLCLXSWMAE-UHFFFAOYSA-N
XLogP-2.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

2-Methoxypropane
CID 11721
2-Methoxybutane
CID 23238
Potassium propan-2-olate
CID 23663646
Sodium butan-2-olate
CID 23663649
2-Butanol, 3-methyl-, potassium salt (1:1)
CID 23689002
Lithium sec-butoxide
CID 23689932
Ethyl-ethanol sulphide
CID 91502732
Dimethylgallium isopropoxide
CID 129868720
Potassium hexan-3-olate
CID 135074148
Isopropyl methyl-d3-ether
CID 141478
Sec-butoxide
CID 3664836
Butan-2-yl hypofluorite
CID 20725353

Frequently Asked Questions

What is the IUPAC name of potassium butan-2-olate?
The IUPAC name of potassium butan-2-olate (CID 23694743) is potassium butan-2-olate.
What is the SMILES notation for potassium butan-2-olate?
The canonical SMILES for potassium butan-2-olate is CCC(C)[O-].[K+].
What is the InChIKey of potassium butan-2-olate?
The InChIKey is ZUPDNLCLXSWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.K/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of potassium butan-2-olate?
potassium butan-2-olate has a molecular weight of 112.21 g/mol, XLogP of -2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butan-2-olate is sourced from PubChem (CID 23694743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).