potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite

C6H8KNaO5S — CID 173048841

IUPACpotassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite
SMILESC/C=C/C=C/C(=O)[O-].O=S([O-])[O-].[H+].[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/b3-2+,5-4+;;;
InChIKeyFAIQDDBULRFYHI-JKMWDKDNSA-L
MW254.28 g/mol
LogP-7.01
Rot. Bonds2

About potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite

potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite (PubChem CID 173048841) has the molecular formula C6H8KNaO5S and a molecular weight of 254.28 g/mol. Its IUPAC name is potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite.

Molecular Properties

Compound Namepotassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite
PubChem CID173048841
Molecular FormulaC6H8KNaO5S
Molecular Weight254.28 g/mol
Exact Mass253.96
IUPAC Namepotassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite
SMILESC/C=C/C=C/C(=O)[O-].O=S([O-])[O-].[H+].[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/b3-2+,5-4+;;;
InChIKeyFAIQDDBULRFYHI-JKMWDKDNSA-L
XLogP-7.01
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-7.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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;hexa-2,4-dienoate;hydrogen sulfite
CID 173048843
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
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
CID 177312231
CID 177312231
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
potassium;ethane-1,2-diol;(2E,4E)-hexa-2,4-dienoate
CID 87530861
tetrapotassium;hexa-2,4-dienoate;phosphate
CID 173339817
potassium;hexa-2,4-dienoate;propanoic acid
CID 161130297

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite?
The IUPAC name of potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite (CID 173048841) is potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite.
What is the SMILES notation for potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite?
The canonical SMILES for potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite is C/C=C/C=C/C(=O)[O-].O=S([O-])[O-].[H+].[K+].[Na+].
What is the InChIKey of potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite?
The InChIKey is FAIQDDBULRFYHI-JKMWDKDNSA-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/b3-2+,5-4+;;;.
What are the key properties of potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite?
potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite has a molecular weight of 254.28 g/mol, XLogP of -7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;(2E,4E)-hexa-2,4-dienoate;hydron;sulfite is sourced from PubChem (CID 173048841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).