potassium 2-ethylhexanoate

C8H15KO2 — CID 23669619

IUPACpotassium 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)[O-].[K+]
InChIInChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyZUFQCVZBBNZMKD-UHFFFAOYSA-M
MW182.30 g/mol
LogP-2.04
Rot. Bonds5

About potassium 2-ethylhexanoate

potassium 2-ethylhexanoate (PubChem CID 23669619) has the molecular formula C8H15KO2 and a molecular weight of 182.30 g/mol. Its IUPAC name is potassium 2-ethylhexanoate.

Molecular Properties

Compound Namepotassium 2-ethylhexanoate
PubChem CID23669619
Molecular FormulaC8H15KO2
Molecular Weight182.30 g/mol
Exact Mass182.07
IUPAC Namepotassium 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)[O-].[K+]
InChIInChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyZUFQCVZBBNZMKD-UHFFFAOYSA-M
XLogP-2.04
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.30
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium 2-ethylhexanoate?
The IUPAC name of potassium 2-ethylhexanoate (CID 23669619) is potassium 2-ethylhexanoate.
What is the SMILES notation for potassium 2-ethylhexanoate?
The canonical SMILES for potassium 2-ethylhexanoate is CCCCC(CC)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-ethylhexanoate?
The InChIKey is ZUFQCVZBBNZMKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 2-ethylhexanoate?
potassium 2-ethylhexanoate has a molecular weight of 182.30 g/mol, XLogP of -2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethylhexanoate is sourced from PubChem (CID 23669619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).