potassium pentadecanoate

C15H29KO2 — CID 23696764

IUPACpotassium pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C15H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyXYLAMPYYOCATEA-UHFFFAOYSA-M
MW280.49 g/mol
LogP0.83
Rot. Bonds13

About potassium pentadecanoate

potassium pentadecanoate (PubChem CID 23696764) has the molecular formula C15H29KO2 and a molecular weight of 280.49 g/mol. Its IUPAC name is potassium pentadecanoate.

Molecular Properties

Compound Namepotassium pentadecanoate
PubChem CID23696764
Molecular FormulaC15H29KO2
Molecular Weight280.49 g/mol
Exact Mass280.18
IUPAC Namepotassium pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C15H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyXYLAMPYYOCATEA-UHFFFAOYSA-M
XLogP0.83
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
potassium heptadecanoate
CID 23668524
octapotassium;octakis(decanoate)
CID 23617120
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
docosanoate;platinum(4+)
CID 173129133
barium(2+);bis(icosanoate)
CID 6451429

Frequently Asked Questions

What is the IUPAC name of potassium pentadecanoate?
The IUPAC name of potassium pentadecanoate (CID 23696764) is potassium pentadecanoate.
What is the SMILES notation for potassium pentadecanoate?
The canonical SMILES for potassium pentadecanoate is CCCCCCCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium pentadecanoate?
The InChIKey is XYLAMPYYOCATEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of potassium pentadecanoate?
potassium pentadecanoate has a molecular weight of 280.49 g/mol, XLogP of 0.83, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pentadecanoate is sourced from PubChem (CID 23696764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).