potassium;sodium;hydride;2-methylidenebutanedioic acid

C5H8KNaO4 — CID 174838643

IUPACpotassium;sodium;hydride;2-methylidenebutanedioic acid
SMILESC=C(CC(=O)O)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C5H6O4.K.Na.2H/c1-3(5(8)9)2-4(6)7;;;;/h1-2H2,(H,6,7)(H,8,9);;;;/q;2*+1;2*-1
InChIKeyIXACGBOUXFZDFG-UHFFFAOYSA-N
MW194.20 g/mol
LogP-5.67
Rot. Bonds3

About potassium;sodium;hydride;2-methylidenebutanedioic acid

potassium;sodium;hydride;2-methylidenebutanedioic acid (PubChem CID 174838643) has the molecular formula C5H8KNaO4 and a molecular weight of 194.20 g/mol. Its IUPAC name is potassium;sodium;hydride;2-methylidenebutanedioic acid.

Molecular Properties

Compound Namepotassium;sodium;hydride;2-methylidenebutanedioic acid
PubChem CID174838643
Molecular FormulaC5H8KNaO4
Molecular Weight194.20 g/mol
Exact Mass194.00
IUPAC Namepotassium;sodium;hydride;2-methylidenebutanedioic acid
SMILESC=C(CC(=O)O)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C5H6O4.K.Na.2H/c1-3(5(8)9)2-4(6)7;;;;/h1-2H2,(H,6,7)(H,8,9);;;;/q;2*+1;2*-1
InChIKeyIXACGBOUXFZDFG-UHFFFAOYSA-N
XLogP-5.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-5.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidenebutanedioic acid;zirconium
CID 158245785
methane;2-methylidenebutanedioic acid
CID 158038738
acetylene;2-methylidenebutanedioic acid;urea
CID 157377951
2-methylidenebutanedioic acid;trimethylazanium;chloride
CID 157060052
2-methylidenebutanedioic acid;sulfamic acid
CID 161051365
2-methylbuta-1,3-diene;2-methylidenebutanedioic acid
CID 162113299
ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731
ethene;ethenoxyethene;2-methylidenebutanedioic acid
CID 173139326
4-hydroxy-3-methylidenepent-4-enoic acid
CID 89312002
cycloheptylcycloheptane;2-methylidenebutanedioic acid
CID 175019086
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylidenebutanedioic acid
CID 159631548
2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
CID 18995564

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;hydride;2-methylidenebutanedioic acid?
The IUPAC name of potassium;sodium;hydride;2-methylidenebutanedioic acid (CID 174838643) is potassium;sodium;hydride;2-methylidenebutanedioic acid.
What is the SMILES notation for potassium;sodium;hydride;2-methylidenebutanedioic acid?
The canonical SMILES for potassium;sodium;hydride;2-methylidenebutanedioic acid is C=C(CC(=O)O)C(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;hydride;2-methylidenebutanedioic acid?
The InChIKey is IXACGBOUXFZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.K.Na.2H/c1-3(5(8)9)2-4(6)7;;;;/h1-2H2,(H,6,7)(H,8,9);;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;hydride;2-methylidenebutanedioic acid?
potassium;sodium;hydride;2-methylidenebutanedioic acid has a molecular weight of 194.20 g/mol, XLogP of -5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;hydride;2-methylidenebutanedioic acid is sourced from PubChem (CID 174838643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).