potassium 6-hydroxy-6-oxohexanoate

C6H9KO4 — CID 23682960

IUPACpotassium 6-hydroxy-6-oxohexanoate
SMILESO=C([O-])CCCCC(=O)O.[K+]
InChIInChI=1S/C6H10O4.K/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyWXRGTYANXHSUOX-UHFFFAOYSA-M
MW184.23 g/mol
LogP-3.61
Rot. Bonds5

About potassium 6-hydroxy-6-oxohexanoate

potassium 6-hydroxy-6-oxohexanoate (PubChem CID 23682960) has the molecular formula C6H9KO4 and a molecular weight of 184.23 g/mol. Its IUPAC name is potassium 6-hydroxy-6-oxohexanoate.

Molecular Properties

Compound Namepotassium 6-hydroxy-6-oxohexanoate
PubChem CID23682960
Molecular FormulaC6H9KO4
Molecular Weight184.23 g/mol
Exact Mass184.01
IUPAC Namepotassium 6-hydroxy-6-oxohexanoate
SMILESO=C([O-])CCCCC(=O)O.[K+]
InChIInChI=1S/C6H10O4.K/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyWXRGTYANXHSUOX-UHFFFAOYSA-M
XLogP-3.61
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-3.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 6-hydroxy-6-oxohexanoate?
The IUPAC name of potassium 6-hydroxy-6-oxohexanoate (CID 23682960) is potassium 6-hydroxy-6-oxohexanoate.
What is the SMILES notation for potassium 6-hydroxy-6-oxohexanoate?
The canonical SMILES for potassium 6-hydroxy-6-oxohexanoate is O=C([O-])CCCCC(=O)O.[K+].
What is the InChIKey of potassium 6-hydroxy-6-oxohexanoate?
The InChIKey is WXRGTYANXHSUOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O4.K/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1.
What are the key properties of potassium 6-hydroxy-6-oxohexanoate?
potassium 6-hydroxy-6-oxohexanoate has a molecular weight of 184.23 g/mol, XLogP of -3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-hydroxy-6-oxohexanoate is sourced from PubChem (CID 23682960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).