Potassium Sorbate, analytical standard

C6H8KO2 — CID 87133357

IUPAC—
SMILESC/C=C/C=C/C(=O)O.[K]
InChIInChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;
InChIKeyOXPHNMOARHEBGH-STWYSWDKSA-N
MW151.23 g/mol
LogP0.82
Rot. Bonds2

About Potassium Sorbate, analytical standard

Potassium Sorbate, analytical standard (PubChem CID 87133357) has the molecular formula C6H8KO2 and a molecular weight of 151.23 g/mol.

Molecular Properties

Compound NamePotassium Sorbate, analytical standard
PubChem CID87133357
Molecular FormulaC6H8KO2
Molecular Weight151.23 g/mol
Exact Mass151.02
IUPAC Name—
SMILESC/C=C/C=C/C(=O)O.[K]
InChIInChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;
InChIKeyOXPHNMOARHEBGH-STWYSWDKSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Sorbic Acid
CID 643460
Potassium Sorbate
CID 23676745
Crotonic Acid
CID 637090
Muconic Acid
CID 5356793
cis,cis-Muconic acid
CID 5280518
2,4-Hexadienoic Acid
CID 5251
2-Butenoic acid
CID 19499
Isocrotonic acid
CID 643792
Octa-2,4,6-trienoic acid
CID 5368831
Potassium 2,4-hexadienoate
CID 23673839
Penta-2,4-dienoic acid
CID 642034
(2Z,4E)-hexa-2,4-dienoic acid
CID 1549236

Frequently Asked Questions

What is the IUPAC name of Potassium Sorbate, analytical standard?
The IUPAC name of Potassium Sorbate, analytical standard (CID 87133357) is not available.
What is the SMILES notation for Potassium Sorbate, analytical standard?
The canonical SMILES for Potassium Sorbate, analytical standard is C/C=C/C=C/C(=O)O.[K].
What is the InChIKey of Potassium Sorbate, analytical standard?
The InChIKey is OXPHNMOARHEBGH-STWYSWDKSA-N. The full InChI is InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/b3-2+,5-4+;.
What are the key properties of Potassium Sorbate, analytical standard?
Potassium Sorbate, analytical standard has a molecular weight of 151.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium Sorbate, analytical standard is sourced from PubChem (CID 87133357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).