potassium 2-hydroxy-3-methylbut-3-enoate

C5H7KO3 — CID 88678002

IUPACpotassium 2-hydroxy-3-methylbut-3-enoate
SMILESC=C(C)C(O)C(=O)[O-].[K+]
InChIInChI=1S/C5H8O3.K/c1-3(2)4(6)5(7)8;/h4,6H,1H2,2H3,(H,7,8);/q;+1/p-1
InChIKeyCRNSZMJOYJXPHR-UHFFFAOYSA-M
MW154.21 g/mol
LogP-4.32
Rot. Bonds2

About potassium 2-hydroxy-3-methylbut-3-enoate

potassium 2-hydroxy-3-methylbut-3-enoate (PubChem CID 88678002) has the molecular formula C5H7KO3 and a molecular weight of 154.21 g/mol. Its IUPAC name is potassium 2-hydroxy-3-methylbut-3-enoate.

Molecular Properties

Compound Namepotassium 2-hydroxy-3-methylbut-3-enoate
PubChem CID88678002
Molecular FormulaC5H7KO3
Molecular Weight154.21 g/mol
Exact Mass154.00
IUPAC Namepotassium 2-hydroxy-3-methylbut-3-enoate
SMILESC=C(C)C(O)C(=O)[O-].[K+]
InChIInChI=1S/C5H8O3.K/c1-3(2)4(6)5(7)8;/h4,6H,1H2,2H3,(H,7,8);/q;+1/p-1
InChIKeyCRNSZMJOYJXPHR-UHFFFAOYSA-M
XLogP-4.32
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-4.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxy-3-methylbut-3-enoate?
The IUPAC name of potassium 2-hydroxy-3-methylbut-3-enoate (CID 88678002) is potassium 2-hydroxy-3-methylbut-3-enoate.
What is the SMILES notation for potassium 2-hydroxy-3-methylbut-3-enoate?
The canonical SMILES for potassium 2-hydroxy-3-methylbut-3-enoate is C=C(C)C(O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-hydroxy-3-methylbut-3-enoate?
The InChIKey is CRNSZMJOYJXPHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O3.K/c1-3(2)4(6)5(7)8;/h4,6H,1H2,2H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 2-hydroxy-3-methylbut-3-enoate?
potassium 2-hydroxy-3-methylbut-3-enoate has a molecular weight of 154.21 g/mol, XLogP of -4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxy-3-methylbut-3-enoate is sourced from PubChem (CID 88678002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).