tetrapotassium;hexa-2,4-dienoate;phosphate

C6H7K4O6P — CID 173339817

IUPACtetrapotassium;hexa-2,4-dienoate;phosphate
SMILESCC=CC=CC(=O)[O-].O=P([O-])([O-])[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C6H8O2.4K.H3O4P/c1-2-3-4-5-6(7)8;;;;;1-5(2,3)4/h2-5H,1H3,(H,7,8);;;;;(H3,1,2,3,4)/q;4*+1;/p-4
InChIKeyVDIJSGNJNKGEIH-UHFFFAOYSA-J
MW362.48 g/mol
LogP-14.94
Rot. Bonds2

About tetrapotassium;hexa-2,4-dienoate;phosphate

tetrapotassium;hexa-2,4-dienoate;phosphate (PubChem CID 173339817) has the molecular formula C6H7K4O6P and a molecular weight of 362.48 g/mol. Its IUPAC name is tetrapotassium;hexa-2,4-dienoate;phosphate.

Molecular Properties

Compound Nametetrapotassium;hexa-2,4-dienoate;phosphate
PubChem CID173339817
Molecular FormulaC6H7K4O6P
Molecular Weight362.48 g/mol
Exact Mass361.85
IUPAC Nametetrapotassium;hexa-2,4-dienoate;phosphate
SMILESCC=CC=CC(=O)[O-].O=P([O-])([O-])[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C6H8O2.4K.H3O4P/c1-2-3-4-5-6(7)8;;;;;1-5(2,3)4/h2-5H,1H3,(H,7,8);;;;;(H3,1,2,3,4)/q;4*+1;/p-4
InChIKeyVDIJSGNJNKGEIH-UHFFFAOYSA-J
XLogP-14.94
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-14.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrapotassium;hexa-2,4-dienoate;phosphate?
The IUPAC name of tetrapotassium;hexa-2,4-dienoate;phosphate (CID 173339817) is tetrapotassium;hexa-2,4-dienoate;phosphate.
What is the SMILES notation for tetrapotassium;hexa-2,4-dienoate;phosphate?
The canonical SMILES for tetrapotassium;hexa-2,4-dienoate;phosphate is CC=CC=CC(=O)[O-].O=P([O-])([O-])[O-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;hexa-2,4-dienoate;phosphate?
The InChIKey is VDIJSGNJNKGEIH-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H8O2.4K.H3O4P/c1-2-3-4-5-6(7)8;;;;;1-5(2,3)4/h2-5H,1H3,(H,7,8);;;;;(H3,1,2,3,4)/q;4*+1;/p-4.
What are the key properties of tetrapotassium;hexa-2,4-dienoate;phosphate?
tetrapotassium;hexa-2,4-dienoate;phosphate has a molecular weight of 362.48 g/mol, XLogP of -14.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;hexa-2,4-dienoate;phosphate is sourced from PubChem (CID 173339817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).