potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate

C6H9KO4 — CID 75527807

IUPACpotassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
SMILESCC(C)(C)OC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C6H10O4.K/c1-6(2,3)10-5(9)4(7)8;/h1-3H3,(H,7,8);/q;+1/p-1
InChIKeyMIPBBQQXFWTTBC-UHFFFAOYSA-M
MW184.23 g/mol
LogP-3.92
Rot. Bonds

About potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate

potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate (PubChem CID 75527807) has the molecular formula C6H9KO4 and a molecular weight of 184.23 g/mol. Its IUPAC name is potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate.

Molecular Properties

Compound Namepotassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
PubChem CID75527807
Molecular FormulaC6H9KO4
Molecular Weight184.23 g/mol
Exact Mass184.01
IUPAC Namepotassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
SMILESCC(C)(C)OC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C6H10O4.K/c1-6(2,3)10-5(9)4(7)8;/h1-3H3,(H,7,8);/q;+1/p-1
InChIKeyMIPBBQQXFWTTBC-UHFFFAOYSA-M
XLogP-3.92
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-3.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate 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

(Z)-2-methyl-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-1-olate
CID 134894334
ditert-butyl oxalate;hydrazine
CID 88669499
1-O-tert-butyl 2-O-chloro oxalate
CID 54089590
3-O-tert-butyl 1-O-methyl 2-oxopropanedioate
CID 140731736
tert-butyl 3-acetyloxy-2-oxopropanoate
CID 172764562
(E)-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-1-olate
CID 134894311
sodium (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 141211109
tert-butyl 2-bromobut-2-enoate
CID 86092926
tert-butyl acetate
CID 159704758
tert-butyl 2-diazo-2-isocyanoacetate
CID 123754554
(Z)-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxo-2-phenylprop-1-en-1-olate
CID 134125128
4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoate
CID 7055993

Frequently Asked Questions

What is the IUPAC name of potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate?
The IUPAC name of potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate (CID 75527807) is potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate.
What is the SMILES notation for potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate?
The canonical SMILES for potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate is CC(C)(C)OC(=O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate?
The InChIKey is MIPBBQQXFWTTBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O4.K/c1-6(2,3)10-5(9)4(7)8;/h1-3H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate?
potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate has a molecular weight of 184.23 g/mol, XLogP of -3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate is sourced from PubChem (CID 75527807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).