potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid

C10H13KO7 — CID 175318409

IUPACpotassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid
SMILESC/C=C/C=C/C(=O)[O-].O=C(O)CC(O)C(=O)O.[K+]
InChIInChI=1S/C6H8O2.C4H6O5.K/c1-2-3-4-5-6(7)8;5-2(4(8)9)1-3(6)7;/h2-5H,1H3,(H,7,8);2,5H,1H2,(H,6,7)(H,8,9);/q;;+1/p-1/b3-2+,5-4+;;
InChIKeyMMVVGXBJGQJPAC-IOUXFWSCSA-M
MW284.31 g/mol
LogP-4.22
Rot. Bonds5

About potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid

potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid (PubChem CID 175318409) has the molecular formula C10H13KO7 and a molecular weight of 284.31 g/mol. Its IUPAC name is potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid.

Molecular Properties

Compound Namepotassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid
PubChem CID175318409
Molecular FormulaC10H13KO7
Molecular Weight284.31 g/mol
Exact Mass284.03
IUPAC Namepotassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid
SMILESC/C=C/C=C/C(=O)[O-].O=C(O)CC(O)C(=O)O.[K+]
InChIInChI=1S/C6H8O2.C4H6O5.K/c1-2-3-4-5-6(7)8;5-2(4(8)9)1-3(6)7;/h2-5H,1H3,(H,7,8);2,5H,1H2,(H,6,7)(H,8,9);/q;;+1/p-1/b3-2+,5-4+;;
InChIKeyMMVVGXBJGQJPAC-IOUXFWSCSA-M
XLogP-4.22
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-4.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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;hexa-2,4-dienoate;propanoic acid
CID 161130297
potassium;benzene;(2E,4E)-hexa-2,4-dienoate
CID 174738022
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
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
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
cadmium(2+);bis(hexa-2,4-dienoate)
CID 159713747
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
calcium;bis(hexa-2,4-dienoate);hexa-2,4-dienoic acid
CID 173392539
calcium;ethanol;bis((2E,4E)-hexa-2,4-dienoate)
CID 157318732

Frequently Asked Questions

What is the IUPAC name of potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid?
The IUPAC name of potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid (CID 175318409) is potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid.
What is the SMILES notation for potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid?
The canonical SMILES for potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid is C/C=C/C=C/C(=O)[O-].O=C(O)CC(O)C(=O)O.[K+].
What is the InChIKey of potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid?
The InChIKey is MMVVGXBJGQJPAC-IOUXFWSCSA-M. The full InChI is InChI=1S/C6H8O2.C4H6O5.K/c1-2-3-4-5-6(7)8;5-2(4(8)9)1-3(6)7;/h2-5H,1H3,(H,7,8);2,5H,1H2,(H,6,7)(H,8,9);/q;;+1/p-1/b3-2+,5-4+;;.
What are the key properties of potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid?
potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid has a molecular weight of 284.31 g/mol, XLogP of -4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2E,4E)-hexa-2,4-dienoate;2-hydroxybutanedioic acid is sourced from PubChem (CID 175318409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).