potassium 4-hydroxy-4-methylpentanoate

C6H11KO3 — CID 75421081

IUPACpotassium 4-hydroxy-4-methylpentanoate
SMILESCC(C)(O)CCC(=O)[O-].[K+]
InChIInChI=1S/C6H12O3.K/c1-6(2,9)4-3-5(7)8;/h9H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeySPIZJFCPJRORDE-UHFFFAOYSA-M
MW170.25 g/mol
LogP-3.71
Rot. Bonds3

About potassium 4-hydroxy-4-methylpentanoate

potassium 4-hydroxy-4-methylpentanoate (PubChem CID 75421081) has the molecular formula C6H11KO3 and a molecular weight of 170.25 g/mol. Its IUPAC name is potassium 4-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Namepotassium 4-hydroxy-4-methylpentanoate
PubChem CID75421081
Molecular FormulaC6H11KO3
Molecular Weight170.25 g/mol
Exact Mass170.03
IUPAC Namepotassium 4-hydroxy-4-methylpentanoate
SMILESCC(C)(O)CCC(=O)[O-].[K+]
InChIInChI=1S/C6H12O3.K/c1-6(2,9)4-3-5(7)8;/h9H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeySPIZJFCPJRORDE-UHFFFAOYSA-M
XLogP-3.71
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 5-3.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze potassium 4-hydroxy-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N,4-dimethylpentanamide
CID 131039941
4,4-difluoro-5-hydroxypentanoate
CID 154359726
4-(2-carboxylatoethyl)-4-propan-2-ylheptanedioate
CID 153312676
tetrapotassium;butanoate
CID 140982885
potassium butanoate
CID 23677461
calcium;6,6-dimethylheptanoate;8,8-dimethylnonanoate
CID 56844065
7,7-dimethyloctanoate
CID 21225528
magnesium bis(4,4,4-trichlorobutanoate)
CID 140531425
disodium;butanedioate;methanol
CID 160588999
bis(7,7-dimethyloctanoate);manganese(2+)
CID 22315822
tetrakis(7,7-dimethyloctanoate);molybdenum(4+)
CID 161322125
azanium 19,19-dimethylicosanoate
CID 141464670

Frequently Asked Questions

What is the IUPAC name of potassium 4-hydroxy-4-methylpentanoate?
The IUPAC name of potassium 4-hydroxy-4-methylpentanoate (CID 75421081) is potassium 4-hydroxy-4-methylpentanoate.
What is the SMILES notation for potassium 4-hydroxy-4-methylpentanoate?
The canonical SMILES for potassium 4-hydroxy-4-methylpentanoate is CC(C)(O)CCC(=O)[O-].[K+].
What is the InChIKey of potassium 4-hydroxy-4-methylpentanoate?
The InChIKey is SPIZJFCPJRORDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O3.K/c1-6(2,9)4-3-5(7)8;/h9H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 4-hydroxy-4-methylpentanoate?
potassium 4-hydroxy-4-methylpentanoate has a molecular weight of 170.25 g/mol, XLogP of -3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-hydroxy-4-methylpentanoate is sourced from PubChem (CID 75421081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).