potassium;butaneperoxoic acid;hydride

C4H9KO3 — CID 174203200

IUPACpotassium;butaneperoxoic acid;hydride
SMILESCCCC(=O)OO.[H-].[K+]
InChIInChI=1S/C4H8O3.K.H/c1-2-3-4(5)7-6;;/h6H,2-3H2,1H3;;/q;+1;-1
InChIKeyXVBFXILFRXJBEC-UHFFFAOYSA-N
MW144.21 g/mol
LogP-2.08
Rot. Bonds2

About potassium;butaneperoxoic acid;hydride

potassium;butaneperoxoic acid;hydride (PubChem CID 174203200) has the molecular formula C4H9KO3 and a molecular weight of 144.21 g/mol. Its IUPAC name is potassium;butaneperoxoic acid;hydride.

Molecular Properties

Compound Namepotassium;butaneperoxoic acid;hydride
PubChem CID174203200
Molecular FormulaC4H9KO3
Molecular Weight144.21 g/mol
Exact Mass144.02
IUPAC Namepotassium;butaneperoxoic acid;hydride
SMILESCCCC(=O)OO.[H-].[K+]
InChIInChI=1S/C4H8O3.K.H/c1-2-3-4(5)7-6;;/h6H,2-3H2,1H3;;/q;+1;-1
InChIKeyXVBFXILFRXJBEC-UHFFFAOYSA-N
XLogP-2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
CID 175089027
butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
butaneperoxoic acid;3-oxobutanoic acid
CID 87387198
lithium;hydride;octadecaneperoxoic acid
CID 173037900
sodium;butanoyl butanoate;hydride
CID 173362700
magnesium;alumane;hydride;octadecaneperoxoic acid
CID 173057605
magnesium;alumane;docosaneperoxoic acid;hydride
CID 173369321
tetradecaneperoxoic acid;titanium
CID 87908201
dibutanoyl butanedioate
CID 88643975
potassium;cyclohexyl butanoate;hydride
CID 174359508
methyl butanoate;tetrahydrochloride
CID 173289582
chromium;methyl butanoate
CID 174781983

Frequently Asked Questions

What is the IUPAC name of potassium;butaneperoxoic acid;hydride?
The IUPAC name of potassium;butaneperoxoic acid;hydride (CID 174203200) is potassium;butaneperoxoic acid;hydride.
What is the SMILES notation for potassium;butaneperoxoic acid;hydride?
The canonical SMILES for potassium;butaneperoxoic acid;hydride is CCCC(=O)OO.[H-].[K+].
What is the InChIKey of potassium;butaneperoxoic acid;hydride?
The InChIKey is XVBFXILFRXJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.K.H/c1-2-3-4(5)7-6;;/h6H,2-3H2,1H3;;/q;+1;-1.
What are the key properties of potassium;butaneperoxoic acid;hydride?
potassium;butaneperoxoic acid;hydride has a molecular weight of 144.21 g/mol, XLogP of -2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butaneperoxoic acid;hydride is sourced from PubChem (CID 174203200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).