potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride

C6H9KO3 — CID 174428854

IUPACpotassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride
SMILESC/C=C/C=C/C(=O)OO.[H-].[K+]
InChIInChI=1S/C6H8O3.K.H/c1-2-3-4-5-6(7)9-8;;/h2-5,8H,1H3;;/q;+1;-1/b3-2+,5-4+;;
InChIKeyUGAXKSJAXKHJDH-IOUXFWSCSA-N
MW168.23 g/mol
LogP-1.75
Rot. Bonds2

About potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride

potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride (PubChem CID 174428854) has the molecular formula C6H9KO3 and a molecular weight of 168.23 g/mol. Its IUPAC name is potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride.

Molecular Properties

Compound Namepotassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride
PubChem CID174428854
Molecular FormulaC6H9KO3
Molecular Weight168.23 g/mol
Exact Mass168.02
IUPAC Namepotassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride
SMILESC/C=C/C=C/C(=O)OO.[H-].[K+]
InChIInChI=1S/C6H8O3.K.H/c1-2-3-4-5-6(7)9-8;;/h2-5,8H,1H3;;/q;+1;-1/b3-2+,5-4+;;
InChIKeyUGAXKSJAXKHJDH-IOUXFWSCSA-N
XLogP-1.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride
CID 173044969
potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
CID 173249378
dipotassium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173074138
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
[4-[(2E,4E)-hexa-2,4-dienoyl]oxycyclohexyl] (2E,4E)-hexa-2,4-dienoate
CID 74220898
potassium;butyl (2E,4E)-hexa-2,4-dienoate;hydride
CID 173308758
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
strontium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173012904

Frequently Asked Questions

What is the IUPAC name of potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride?
The IUPAC name of potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride (CID 174428854) is potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride.
What is the SMILES notation for potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride?
The canonical SMILES for potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride is C/C=C/C=C/C(=O)OO.[H-].[K+].
What is the InChIKey of potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride?
The InChIKey is UGAXKSJAXKHJDH-IOUXFWSCSA-N. The full InChI is InChI=1S/C6H8O3.K.H/c1-2-3-4-5-6(7)9-8;;/h2-5,8H,1H3;;/q;+1;-1/b3-2+,5-4+;;.
What are the key properties of potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride?
potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride has a molecular weight of 168.23 g/mol, XLogP of -1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride is sourced from PubChem (CID 174428854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).