lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

C7H14KLiO4 — CID 174967926

IUPAClithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCC(C)(C)OC(=O)CC(=O)O.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C7H12O4.K.Li.2H/c1-7(2,3)11-6(10)4-5(8)9;;;;/h4H2,1-3H3,(H,8,9);;;;/q;2*+1;2*-1
InChIKeyTVXAUMLCKFPSCV-UHFFFAOYSA-N
MW208.22 g/mol
LogP-4.96
Rot. Bonds2

About lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (PubChem CID 174967926) has the molecular formula C7H14KLiO4 and a molecular weight of 208.22 g/mol. Its IUPAC name is lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Molecular Properties

Compound Namelithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
PubChem CID174967926
Molecular FormulaC7H14KLiO4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Namelithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCC(C)(C)OC(=O)CC(=O)O.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C7H12O4.K.Li.2H/c1-7(2,3)11-6(10)4-5(8)9;;;;/h4H2,1-3H3,(H,8,9);;;;/q;2*+1;2*-1
InChIKeyTVXAUMLCKFPSCV-UHFFFAOYSA-N
XLogP-4.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-4.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid 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

tert-butyl 3-amino-3-oxopropanoate;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 161137810
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid
CID 174968630
3-(3-methylpentan-3-yloxy)-3-oxopropanoic acid
CID 54570374
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
lithium;sodium;hydride;3-oxo-3-(2,2,3-trimethylheptan-3-yloxy)propanoic acid
CID 174967758
azanium 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
CID 11658375
lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride
CID 175224963
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
3-(2,4-dimethylpentan-2-yloxy)-3-oxopropanoic acid
CID 162355559
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 15631255
2,2-dihydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91245565

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The IUPAC name of lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (CID 174967926) is lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.
What is the SMILES notation for lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The canonical SMILES for lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is CC(C)(C)OC(=O)CC(=O)O.[H-].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The InChIKey is TVXAUMLCKFPSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.K.Li.2H/c1-7(2,3)11-6(10)4-5(8)9;;;;/h4H2,1-3H3,(H,8,9);;;;/q;2*+1;2*-1.
What are the key properties of lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid has a molecular weight of 208.22 g/mol, XLogP of -4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is sourced from PubChem (CID 174967926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).