potassium;hexa-2,4-dienoate;propanoic acid

C9H13KO4 — CID 161130297

IUPACpotassium;hexa-2,4-dienoate;propanoic acid
SMILESCC=CC=CC(=O)[O-].CCC(=O)O.[K+]
InChIInChI=1S/C6H8O2.C3H6O2.K/c1-2-3-4-5-6(7)8;1-2-3(4)5;/h2-5H,1H3,(H,7,8);2H2,1H3,(H,4,5);/q;;+1/p-1
InChIKeyUMBYUNWPHRAFBW-UHFFFAOYSA-M
MW224.30 g/mol
LogP-2.65
Rot. Bonds3

About potassium;hexa-2,4-dienoate;propanoic acid

potassium;hexa-2,4-dienoate;propanoic acid (PubChem CID 161130297) has the molecular formula C9H13KO4 and a molecular weight of 224.30 g/mol. Its IUPAC name is potassium;hexa-2,4-dienoate;propanoic acid.

Molecular Properties

Compound Namepotassium;hexa-2,4-dienoate;propanoic acid
PubChem CID161130297
Molecular FormulaC9H13KO4
Molecular Weight224.30 g/mol
Exact Mass224.05
IUPAC Namepotassium;hexa-2,4-dienoate;propanoic acid
SMILESCC=CC=CC(=O)[O-].CCC(=O)O.[K+]
InChIInChI=1S/C6H8O2.C3H6O2.K/c1-2-3-4-5-6(7)8;1-2-3(4)5;/h2-5H,1H3,(H,7,8);2H2,1H3,(H,4,5);/q;;+1/p-1
InChIKeyUMBYUNWPHRAFBW-UHFFFAOYSA-M
XLogP-2.65
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-2.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;benzene;(2E,4E)-hexa-2,4-dienoate
CID 174738022
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
calcium;ethanol;bis((2E,4E)-hexa-2,4-dienoate)
CID 157318732
dipotassium;bis((2E,4E)-hexa-2,4-dienoate);(2E,4E)-hexa-2,4-dienoic acid
CID 160911616
potassium;ethane-1,2-diol;(2E,4E)-hexa-2,4-dienoate
CID 87530861
dicalcium;tetrakis((2E,4E)-hexa-2,4-dienoate)
CID 157350399
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
cadmium(2+);bis(hexa-2,4-dienoate)
CID 159713747
calcium;bis(hexa-2,4-dienoate);hexa-2,4-dienoic acid
CID 173392539
tetrapotassium;hexa-2,4-dienoate;phosphate
CID 173339817
potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid
CID 175318409

Frequently Asked Questions

What is the IUPAC name of potassium;hexa-2,4-dienoate;propanoic acid?
The IUPAC name of potassium;hexa-2,4-dienoate;propanoic acid (CID 161130297) is potassium;hexa-2,4-dienoate;propanoic acid.
What is the SMILES notation for potassium;hexa-2,4-dienoate;propanoic acid?
The canonical SMILES for potassium;hexa-2,4-dienoate;propanoic acid is CC=CC=CC(=O)[O-].CCC(=O)O.[K+].
What is the InChIKey of potassium;hexa-2,4-dienoate;propanoic acid?
The InChIKey is UMBYUNWPHRAFBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O2.C3H6O2.K/c1-2-3-4-5-6(7)8;1-2-3(4)5;/h2-5H,1H3,(H,7,8);2H2,1H3,(H,4,5);/q;;+1/p-1.
What are the key properties of potassium;hexa-2,4-dienoate;propanoic acid?
potassium;hexa-2,4-dienoate;propanoic acid has a molecular weight of 224.30 g/mol, XLogP of -2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hexa-2,4-dienoate;propanoic acid is sourced from PubChem (CID 161130297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).