lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid

C23H46KLiO4 — CID 174968630

IUPAClithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid
SMILESCCCCCCCCCCCCC(C)(CCCCCC)OC(=O)CC(=O)O.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C23H44O4.K.Li.2H/c1-4-6-8-10-11-12-13-14-15-17-19-23(3,18-16-9-7-5-2)27-22(26)20-21(24)25;;;;/h4-20H2,1-3H3,(H,24,25);;;;/q;2*+1;2*-1
InChIKeyJLFMTTNUCWJTOC-UHFFFAOYSA-N
MW432.66 g/mol
LogP1.28
Rot. Bonds19

About lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid

lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid (PubChem CID 174968630) has the molecular formula C23H46KLiO4 and a molecular weight of 432.66 g/mol. Its IUPAC name is lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid.

Molecular Properties

Compound Namelithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid
PubChem CID174968630
Molecular FormulaC23H46KLiO4
Molecular Weight432.66 g/mol
Exact Mass432.32
IUPAC Namelithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid
SMILESCCCCCCCCCCCCC(C)(CCCCCC)OC(=O)CC(=O)O.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C23H44O4.K.Li.2H/c1-4-6-8-10-11-12-13-14-15-17-19-23(3,18-16-9-7-5-2)27-22(26)20-21(24)25;;;;/h4-20H2,1-3H3,(H,24,25);;;;/q;2*+1;2*-1
InChIKeyJLFMTTNUCWJTOC-UHFFFAOYSA-N
XLogP1.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.66
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

magnesium;hydride;3-(11-methylhenicosan-11-yloxy)-3-oxopropanoic acid
CID 175224843
3-oxo-3-(2,2,3-trimethyloctan-3-yloxy)propanoic acid
CID 175226013
9-methylnonadecan-9-yl octadecanoate
CID 87086259
sodium 3-(5-methylpentadecan-5-yloxy)-3-oxopropanoate
CID 175226070
3-[3-(2-carboxyacetyl)oxynonan-3-yloxy]-3-oxopropanoic acid
CID 155250044
lithium;sodium;hydride;3-oxo-3-(2,2,3-trimethylheptan-3-yloxy)propanoic acid
CID 174967758
3-(3-methylpentan-3-yloxy)-3-oxopropanoic acid
CID 54570374
6-methyldodecan-6-yl 4-aminobutanoate
CID 174355900
3-(6-ethyl-7-methyltridecan-7-yl)oxy-3-oxopropanoic acid
CID 139415571
bis(2,2,3-trimethyloctan-3-yl) propanedioate
CID 175226011
calcium;3-hexoxy-3-oxopropanoic acid;hydride
CID 174967959
calcium;hydride;3-oxo-3-undecoxypropanoic acid
CID 174967752

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid?
The IUPAC name of lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid (CID 174968630) is lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid.
What is the SMILES notation for lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid?
The canonical SMILES for lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid is CCCCCCCCCCCCC(C)(CCCCCC)OC(=O)CC(=O)O.[H-].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid?
The InChIKey is JLFMTTNUCWJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O4.K.Li.2H/c1-4-6-8-10-11-12-13-14-15-17-19-23(3,18-16-9-7-5-2)27-22(26)20-21(24)25;;;;/h4-20H2,1-3H3,(H,24,25);;;;/q;2*+1;2*-1.
What are the key properties of lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid?
lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid has a molecular weight of 432.66 g/mol, XLogP of 1.28, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid is sourced from PubChem (CID 174968630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).