potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite

C6H8KNaO5S — CID 173048843

IUPACpotassium;sodium;hexa-2,4-dienoate;hydrogen sulfite
SMILESCC=CC=CC(=O)[O-].O=S([O-])O.[K+].[Na+]
InChIInChI=1S/C6H8O2.K.Na.H2O3S/c1-2-3-4-5-6(7)8;;;1-4(2)3/h2-5H,1H3,(H,7,8);;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyFAIQDDBULRFYHI-UHFFFAOYSA-L
MW254.28 g/mol
LogP-6.78
Rot. Bonds2

About potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite

potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite (PubChem CID 173048843) has the molecular formula C6H8KNaO5S and a molecular weight of 254.28 g/mol. Its IUPAC name is potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite.

Molecular Properties

Compound Namepotassium;sodium;hexa-2,4-dienoate;hydrogen sulfite
PubChem CID173048843
Molecular FormulaC6H8KNaO5S
Molecular Weight254.28 g/mol
Exact Mass253.96
IUPAC Namepotassium;sodium;hexa-2,4-dienoate;hydrogen sulfite
SMILESCC=CC=CC(=O)[O-].O=S([O-])O.[K+].[Na+]
InChIInChI=1S/C6H8O2.K.Na.H2O3S/c1-2-3-4-5-6(7)8;;;1-4(2)3/h2-5H,1H3,(H,7,8);;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyFAIQDDBULRFYHI-UHFFFAOYSA-L
XLogP-6.78
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-6.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite
CID 173048841
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
CID 177312231
CID 177312231
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
dicalcium;tetrakis((2E,4E)-hexa-2,4-dienoate)
CID 157350399
cadmium(2+);bis(hexa-2,4-dienoate)
CID 159713747
potassium;benzene;(2E,4E)-hexa-2,4-dienoate
CID 174738022
dipotassium;bis((2E,4E)-hexa-2,4-dienoate);(2E,4E)-hexa-2,4-dienoic acid
CID 160911616
tetrapotassium;hexa-2,4-dienoate;phosphate
CID 173339817
potassium;ethane-1,2-diol;(2E,4E)-hexa-2,4-dienoate
CID 87530861
potassium;hexa-2,4-dienoate;propanoic acid
CID 161130297

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite?
The IUPAC name of potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite (CID 173048843) is potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite.
What is the SMILES notation for potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite?
The canonical SMILES for potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite is CC=CC=CC(=O)[O-].O=S([O-])O.[K+].[Na+].
What is the InChIKey of potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite?
The InChIKey is FAIQDDBULRFYHI-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O2.K.Na.H2O3S/c1-2-3-4-5-6(7)8;;;1-4(2)3/h2-5H,1H3,(H,7,8);;;(H2,1,2,3)/q;2*+1;/p-2.
What are the key properties of potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite?
potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite has a molecular weight of 254.28 g/mol, XLogP of -6.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite is sourced from PubChem (CID 173048843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).