potassium pentanoate

C5H9KO2 — CID 23668516

IUPACpotassium pentanoate
SMILESCCCCC(=O)[O-].[K+]
InChIInChI=1S/C5H10O2.K/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyOPCDHYPGIGFJGH-UHFFFAOYSA-M
MW140.22 g/mol
LogP-3.07
Rot. Bonds3

About potassium pentanoate

potassium pentanoate (PubChem CID 23668516) has the molecular formula C5H9KO2 and a molecular weight of 140.22 g/mol. Its IUPAC name is potassium pentanoate.

Molecular Properties

Compound Namepotassium pentanoate
PubChem CID23668516
Molecular FormulaC5H9KO2
Molecular Weight140.22 g/mol
Exact Mass140.02
IUPAC Namepotassium pentanoate
SMILESCCCCC(=O)[O-].[K+]
InChIInChI=1S/C5H10O2.K/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyOPCDHYPGIGFJGH-UHFFFAOYSA-M
XLogP-3.07
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.22
LogP ≤ 5-3.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium pentanoate?
The IUPAC name of potassium pentanoate (CID 23668516) is potassium pentanoate.
What is the SMILES notation for potassium pentanoate?
The canonical SMILES for potassium pentanoate is CCCCC(=O)[O-].[K+].
What is the InChIKey of potassium pentanoate?
The InChIKey is OPCDHYPGIGFJGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O2.K/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1.
What are the key properties of potassium pentanoate?
potassium pentanoate has a molecular weight of 140.22 g/mol, XLogP of -3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pentanoate is sourced from PubChem (CID 23668516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).