potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride

C12H16KNaO4 — CID 173044969

IUPACpotassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride
SMILESC/C=C/C=C/C(=O)OOC(=O)/C=C/C=C/C.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C12H14O4.K.Na.2H/c1-3-5-7-9-11(13)15-16-12(14)10-8-6-4-2;;;;/h3-10H,1-2H3;;;;/q;2*+1;2*-1/b5-3+,6-4+,9-7+,10-8+;;;;
InChIKeyDULRKUJRQOWHEI-JXQCCXLTSA-N
MW286.34 g/mol
LogP-3.51
Rot. Bonds4

About potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride

potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride (PubChem CID 173044969) has the molecular formula C12H16KNaO4 and a molecular weight of 286.34 g/mol. Its IUPAC name is potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride.

Molecular Properties

Compound Namepotassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride
PubChem CID173044969
Molecular FormulaC12H16KNaO4
Molecular Weight286.34 g/mol
Exact Mass286.06
IUPAC Namepotassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride
SMILESC/C=C/C=C/C(=O)OOC(=O)/C=C/C=C/C.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C12H14O4.K.Na.2H/c1-3-5-7-9-11(13)15-16-12(14)10-8-6-4-2;;;;/h3-10H,1-2H3;;;;/q;2*+1;2*-1/b5-3+,6-4+,9-7+,10-8+;;;;
InChIKeyDULRKUJRQOWHEI-JXQCCXLTSA-N
XLogP-3.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
CID 173249378
potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride
CID 174428854
2-methylprop-2-enoyl (2E,4E)-hexa-2,4-dieneperoxoate
CID 141038339
dipotassium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173074138
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
CID 173308758
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
carboxy (2E,4E)-hexa-2,4-dienoate;cerium
CID 175593072
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
chloromethyl (2E,4E)-hexa-2,4-dienoate
CID 88646612
tert-butyl (2E,4E)-octa-2,4,6-trienoate
CID 131887303

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride?
The IUPAC name of potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride (CID 173044969) is potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride.
What is the SMILES notation for potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride?
The canonical SMILES for potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride is C/C=C/C=C/C(=O)OOC(=O)/C=C/C=C/C.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride?
The InChIKey is DULRKUJRQOWHEI-JXQCCXLTSA-N. The full InChI is InChI=1S/C12H14O4.K.Na.2H/c1-3-5-7-9-11(13)15-16-12(14)10-8-6-4-2;;;;/h3-10H,1-2H3;;;;/q;2*+1;2*-1/b5-3+,6-4+,9-7+,10-8+;;;;.
What are the key properties of potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride?
potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride has a molecular weight of 286.34 g/mol, XLogP of -3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride is sourced from PubChem (CID 173044969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).