Sodium hexanoate

C6H11NaO2CAS 10051-44-2138.14 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C6H11NaO2
Molar mass
138.14 g/mol
Exact mass
138.0657 Da
Melting point
225 °C
logP
1.27Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10051-44-2
SMILES
CCCCCC([O-])=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

7 names
  • Hexanoic acid, sodium salt (1:1)
  • Hexanoic acid, sodium salt
  • Sodium caproate
  • Sodium hexoate
  • Sodium capronate
  • Sodium n-caproate
  • Caproic acid sodium salt

Work with Sodium hexanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Caproic acid142-62-1Free acid

Similar compounds

Sodium caprate1002-62-696 % similar Sodium octanoate1984-06-196 % similar Sodium palmitate408-35-596 % similar Sodium laurate629-25-496 % similar Sodium myristate822-12-896 % similar Sodium stearate822-16-296 % similar Sodium valerate6106-41-888 % similar Sodium oleate143-19-177 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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