potassium heptanoate

C7H13KO2 — CID 23681741

IUPACpotassium heptanoate
SMILESCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C7H14O2.K/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyYOSXTSJZQNTKKX-UHFFFAOYSA-M
MW168.28 g/mol
LogP-2.29
Rot. Bonds5

About potassium heptanoate

potassium heptanoate (PubChem CID 23681741) has the molecular formula C7H13KO2 and a molecular weight of 168.28 g/mol. Its IUPAC name is potassium heptanoate.

Molecular Properties

Compound Namepotassium heptanoate
PubChem CID23681741
Molecular FormulaC7H13KO2
Molecular Weight168.28 g/mol
Exact Mass168.06
IUPAC Namepotassium heptanoate
SMILESCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C7H14O2.K/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyYOSXTSJZQNTKKX-UHFFFAOYSA-M
XLogP-2.29
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 5-2.29
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 decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptadecanoate
CID 23668524
potassium pentadecanoate
CID 23696764
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 heptanoate?
The IUPAC name of potassium heptanoate (CID 23681741) is potassium heptanoate.
What is the SMILES notation for potassium heptanoate?
The canonical SMILES for potassium heptanoate is CCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium heptanoate?
The InChIKey is YOSXTSJZQNTKKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O2.K/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of potassium heptanoate?
potassium heptanoate has a molecular weight of 168.28 g/mol, XLogP of -2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium heptanoate is sourced from PubChem (CID 23681741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).