potassium;sodium;bis(tetradecanoate)

C28H54KNaO4 — CID 158769581

IUPACpotassium;sodium;bis(tetradecanoate)
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[K+].[Na+]
InChIInChI=1S/2C14H28O2.K.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2*2-13H2,1H3,(H,15,16);;/q;;2*+1/p-2
InChIKeyIPRSTRZNKZONTF-UHFFFAOYSA-L
MW516.82 g/mol
LogP0.88
Rot. Bonds24

About potassium;sodium;bis(tetradecanoate)

potassium;sodium;bis(tetradecanoate) (PubChem CID 158769581) has the molecular formula C28H54KNaO4 and a molecular weight of 516.82 g/mol. Its IUPAC name is potassium;sodium;bis(tetradecanoate).

Molecular Properties

Compound Namepotassium;sodium;bis(tetradecanoate)
PubChem CID158769581
Molecular FormulaC28H54KNaO4
Molecular Weight516.82 g/mol
Exact Mass516.36
IUPAC Namepotassium;sodium;bis(tetradecanoate)
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[K+].[Na+]
InChIInChI=1S/2C14H28O2.K.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2*2-13H2,1H3,(H,15,16);;/q;;2*+1/p-2
InChIKeyIPRSTRZNKZONTF-UHFFFAOYSA-L
XLogP0.88
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.82
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium heptanoate
CID 23681741
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
sodium pentadecanoate
CID 23663638
potassium heptadecanoate
CID 23668524
sodium heptadecanoate
CID 23663632
potassium pentadecanoate
CID 23696764
octapotassium;octakis(decanoate)
CID 23617120
sodium hentriacontanoate
CID 139987799
sodium;azane;dodecanoate
CID 23690680
trisodium;octadecanoate;carbonate
CID 162024794
sodium;carbane;octanoate
CID 88711912

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;bis(tetradecanoate)?
The IUPAC name of potassium;sodium;bis(tetradecanoate) (CID 158769581) is potassium;sodium;bis(tetradecanoate).
What is the SMILES notation for potassium;sodium;bis(tetradecanoate)?
The canonical SMILES for potassium;sodium;bis(tetradecanoate) is CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[K+].[Na+].
What is the InChIKey of potassium;sodium;bis(tetradecanoate)?
The InChIKey is IPRSTRZNKZONTF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H28O2.K.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2*2-13H2,1H3,(H,15,16);;/q;;2*+1/p-2.
What are the key properties of potassium;sodium;bis(tetradecanoate)?
potassium;sodium;bis(tetradecanoate) has a molecular weight of 516.82 g/mol, XLogP of 0.88, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;bis(tetradecanoate) is sourced from PubChem (CID 158769581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).