hexacosapotassium;tris(hexa-2,4-dienoic acid)

C18H24K26O6+26 — CID 173324398

IUPAChexacosapotassium;tris(hexa-2,4-dienoic acid)
SMILESCC=CC=CC(=O)O.CC=CC=CC(=O)O.CC=CC=CC(=O)O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/3C6H8O2.26K/c3*1-2-3-4-5-6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*2-5H,1H3,(H,7,8);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;26*+1
InChIKeyZHYRGYMOIGIWFX-UHFFFAOYSA-N
MW1352.93 g/mol
LogP-74.29
Rot. Bonds6

About hexacosapotassium;tris(hexa-2,4-dienoic acid)

hexacosapotassium;tris(hexa-2,4-dienoic acid) (PubChem CID 173324398) has the molecular formula C18H24K26O6+26 and a molecular weight of 1352.93 g/mol. Its IUPAC name is hexacosapotassium;tris(hexa-2,4-dienoic acid).

Molecular Properties

Compound Namehexacosapotassium;tris(hexa-2,4-dienoic acid)
PubChem CID173324398
Molecular FormulaC18H24K26O6+26
Molecular Weight1352.93 g/mol
Exact Mass1349.20
IUPAC Namehexacosapotassium;tris(hexa-2,4-dienoic acid)
SMILESCC=CC=CC(=O)O.CC=CC=CC(=O)O.CC=CC=CC(=O)O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/3C6H8O2.26K/c3*1-2-3-4-5-6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*2-5H,1H3,(H,7,8);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;26*+1
InChIKeyZHYRGYMOIGIWFX-UHFFFAOYSA-N
XLogP-74.29
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001352.93
LogP ≤ 5-74.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
dipotassium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173074138
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
hexa-2,4-dienoic acid;sulfane
CID 173071228
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
calcium;bis((2E,4E)-hexa-2,4-dienoic acid);hydride
CID 173392537
calcium;hexa-2,4-dienoic acid;hydride
CID 172999135
strontium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173012904
benzene;hexa-2,4-dienoic acid
CID 173310837
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331

Frequently Asked Questions

What is the IUPAC name of hexacosapotassium;tris(hexa-2,4-dienoic acid)?
The IUPAC name of hexacosapotassium;tris(hexa-2,4-dienoic acid) (CID 173324398) is hexacosapotassium;tris(hexa-2,4-dienoic acid).
What is the SMILES notation for hexacosapotassium;tris(hexa-2,4-dienoic acid)?
The canonical SMILES for hexacosapotassium;tris(hexa-2,4-dienoic acid) is CC=CC=CC(=O)O.CC=CC=CC(=O)O.CC=CC=CC(=O)O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexacosapotassium;tris(hexa-2,4-dienoic acid)?
The InChIKey is ZHYRGYMOIGIWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H8O2.26K/c3*1-2-3-4-5-6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*2-5H,1H3,(H,7,8);;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;26*+1.
What are the key properties of hexacosapotassium;tris(hexa-2,4-dienoic acid)?
hexacosapotassium;tris(hexa-2,4-dienoic acid) has a molecular weight of 1352.93 g/mol, XLogP of -74.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosapotassium;tris(hexa-2,4-dienoic acid) is sourced from PubChem (CID 173324398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).