henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)

C36H48K61O12+61 — CID 173299279

IUPAChenhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
SMILESCC=CC=CC(=O)O.CC=CC=CC(=O)O.CC=CC=CC(=O)O.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+].[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+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/6C6H8O2.61K/c6*1-2-3-4-5-6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*2-5H,1H3,(H,7,8);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;61*+1
InChIKeyCCFOTHFTLABAJI-UHFFFAOYSA-N
MW3057.75 g/mol
LogP-175.54
Rot. Bonds12

About henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)

henhexacontapotassium;hexakis(hexa-2,4-dienoic acid) (PubChem CID 173299279) has the molecular formula C36H48K61O12+61 and a molecular weight of 3057.75 g/mol. Its IUPAC name is henhexacontapotassium;hexakis(hexa-2,4-dienoic acid).

Molecular Properties

Compound Namehenhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
PubChem CID173299279
Molecular FormulaC36H48K61O12+61
Molecular Weight3057.75 g/mol
Exact Mass3049.07
IUPAC Namehenhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
SMILESCC=CC=CC(=O)O.CC=CC=CC(=O)O.CC=CC=CC(=O)O.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+].[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+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/6C6H8O2.61K/c6*1-2-3-4-5-6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*2-5H,1H3,(H,7,8);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;61*+1
InChIKeyCCFOTHFTLABAJI-UHFFFAOYSA-N
XLogP-175.54
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003057.75
LogP ≤ 5-175.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze henhexacontapotassium;hexakis(hexa-2,4-dienoic acid) 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

hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
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 henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)?
The IUPAC name of henhexacontapotassium;hexakis(hexa-2,4-dienoic acid) (CID 173299279) is henhexacontapotassium;hexakis(hexa-2,4-dienoic acid).
What is the SMILES notation for henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)?
The canonical SMILES for henhexacontapotassium;hexakis(hexa-2,4-dienoic acid) is CC=CC=CC(=O)O.CC=CC=CC(=O)O.CC=CC=CC(=O)O.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+].[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+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)?
The InChIKey is CCFOTHFTLABAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H8O2.61K/c6*1-2-3-4-5-6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*2-5H,1H3,(H,7,8);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;61*+1.
What are the key properties of henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)?
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid) has a molecular weight of 3057.75 g/mol, XLogP of -175.54, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for henhexacontapotassium;hexakis(hexa-2,4-dienoic acid) is sourced from PubChem (CID 173299279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).