potassium but-2-ynedioic acid

C4H2KO4+ — CID 18763942

IUPACpotassium but-2-ynedioic acid
SMILESO=C(O)C#CC(=O)O.[K+]
InChIInChI=1S/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1
InChIKeyKLLYWRUTRAFSJT-UHFFFAOYSA-N
MW153.15 g/mol
LogP-3.84
Rot. Bonds

About potassium but-2-ynedioic acid

potassium but-2-ynedioic acid (PubChem CID 18763942) has the molecular formula C4H2KO4+ and a molecular weight of 153.15 g/mol. Its IUPAC name is potassium but-2-ynedioic acid.

Molecular Properties

Compound Namepotassium but-2-ynedioic acid
PubChem CID18763942
Molecular FormulaC4H2KO4+
Molecular Weight153.15 g/mol
Exact Mass152.96
IUPAC Namepotassium but-2-ynedioic acid
SMILESO=C(O)C#CC(=O)O.[K+]
InChIInChI=1S/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1
InChIKeyKLLYWRUTRAFSJT-UHFFFAOYSA-N
XLogP-3.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-3.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;but-2-ynedioic acid;hydride
CID 173356014
4-oxopent-2-ynoic acid
CID 57311770
3-chloroprop-2-ynoic acid
CID 20515258
3-methoxyprop-2-ynoic acid
CID 54098412
tripotassium;carbonocyanidic acid;hydride
CID 173291553
4,4,5,5-tetrafluoropent-2-ynoic acid
CID 165461898
prop-2-yne-1,1,3-tricarboxylic acid
CID 19913916
3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
4-sulfanylidenebut-2-ynoic acid
CID 89114965
iodoethyne;prop-2-ynoic acid
CID 159080639
13-sulfanyltrideca-2,4,6,8,10,12-hexaynoic acid
CID 155655332

Frequently Asked Questions

What is the IUPAC name of potassium but-2-ynedioic acid?
The IUPAC name of potassium but-2-ynedioic acid (CID 18763942) is potassium but-2-ynedioic acid.
What is the SMILES notation for potassium but-2-ynedioic acid?
The canonical SMILES for potassium but-2-ynedioic acid is O=C(O)C#CC(=O)O.[K+].
What is the InChIKey of potassium but-2-ynedioic acid?
The InChIKey is KLLYWRUTRAFSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1.
What are the key properties of potassium but-2-ynedioic acid?
potassium but-2-ynedioic acid has a molecular weight of 153.15 g/mol, XLogP of -3.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium but-2-ynedioic acid is sourced from PubChem (CID 18763942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).