potassium;hexanoate;hexanoic acid

C12H23KO4 — CID 175726310

IUPACpotassium;hexanoate;hexanoic acid
SMILESCCCCCC(=O)O.CCCCCC(=O)[O-].[K+]
InChIInChI=1S/2C6H12O2.K/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);/q;;+1/p-1
InChIKeyRSRIZVYUVKVRJY-UHFFFAOYSA-M
MW270.41 g/mol
LogP-1.03
Rot. Bonds8

About potassium;hexanoate;hexanoic acid

potassium;hexanoate;hexanoic acid (PubChem CID 175726310) has the molecular formula C12H23KO4 and a molecular weight of 270.41 g/mol. Its IUPAC name is potassium;hexanoate;hexanoic acid.

Molecular Properties

Compound Namepotassium;hexanoate;hexanoic acid
PubChem CID175726310
Molecular FormulaC12H23KO4
Molecular Weight270.41 g/mol
Exact Mass270.12
IUPAC Namepotassium;hexanoate;hexanoic acid
SMILESCCCCCC(=O)O.CCCCCC(=O)[O-].[K+]
InChIInChI=1S/2C6H12O2.K/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);/q;;+1/p-1
InChIKeyRSRIZVYUVKVRJY-UHFFFAOYSA-M
XLogP-1.03
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175347861
dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)
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strontium;bis(octadecanoate);octadecanoic acid
CID 159373393
sodium;docosanoic acid;octadecanoate
CID 174660155
magnesium;bis(octadecanoate);octadecanoic acid
CID 158576428
sodium;hexadecanoate;hexadecanoic acid
CID 159365282
sodium;decanoic acid;dodecanoate
CID 159389890
disodium;decanoic acid;bis(octanoate)
CID 158676910
calcium;bis(octadecanoate);bis(octadecanoic acid);hydrate
CID 174978246
disilver;octadecanoic acid;pentanedioate
CID 23440543
potassium;(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadecanoate;16,16,16-trideuteriohexadecanoic acid
CID 129180184
octapotassium;octakis(decanoate)
CID 23617120

Frequently Asked Questions

What is the IUPAC name of potassium;hexanoate;hexanoic acid?
The IUPAC name of potassium;hexanoate;hexanoic acid (CID 175726310) is potassium;hexanoate;hexanoic acid.
What is the SMILES notation for potassium;hexanoate;hexanoic acid?
The canonical SMILES for potassium;hexanoate;hexanoic acid is CCCCCC(=O)O.CCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium;hexanoate;hexanoic acid?
The InChIKey is RSRIZVYUVKVRJY-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H12O2.K/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);/q;;+1/p-1.
What are the key properties of potassium;hexanoate;hexanoic acid?
potassium;hexanoate;hexanoic acid has a molecular weight of 270.41 g/mol, XLogP of -1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hexanoate;hexanoic acid is sourced from PubChem (CID 175726310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).