potassium hexa-2,4-dienoate

C6H7KO2 — CID 23673839

IUPACpotassium hexa-2,4-dienoate
SMILESCC=CC=CC(=O)[O-].[K+]
InChIInChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1
InChIKeyCHHHXKFHOYLYRE-UHFFFAOYSA-M
MW150.22 g/mol
LogP-3.13
Rot. Bonds2

About potassium hexa-2,4-dienoate

potassium hexa-2,4-dienoate (PubChem CID 23673839) has the molecular formula C6H7KO2 and a molecular weight of 150.22 g/mol. Its IUPAC name is potassium hexa-2,4-dienoate.

Molecular Properties

Compound Namepotassium hexa-2,4-dienoate
PubChem CID23673839
Molecular FormulaC6H7KO2
Molecular Weight150.22 g/mol
Exact Mass150.01
IUPAC Namepotassium hexa-2,4-dienoate
SMILESCC=CC=CC(=O)[O-].[K+]
InChIInChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1
InChIKeyCHHHXKFHOYLYRE-UHFFFAOYSA-M
XLogP-3.13
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-3.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium hexa-2,4-dienoate?
The IUPAC name of potassium hexa-2,4-dienoate (CID 23673839) is potassium hexa-2,4-dienoate.
What is the SMILES notation for potassium hexa-2,4-dienoate?
The canonical SMILES for potassium hexa-2,4-dienoate is CC=CC=CC(=O)[O-].[K+].
What is the InChIKey of potassium hexa-2,4-dienoate?
The InChIKey is CHHHXKFHOYLYRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium hexa-2,4-dienoate?
potassium hexa-2,4-dienoate has a molecular weight of 150.22 g/mol, XLogP of -3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hexa-2,4-dienoate is sourced from PubChem (CID 23673839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).