chempirical

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

Identifiers

CAS number
10051-44-2
SMILES
CCCCCC([O-])=O.[Na+]
InChIKey
BVAAYLKACPDWPX-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);

Weigh it out

Type any one amount. The others follow from the molar mass.

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

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

PubChem CAS Common Chemistry NIST WebBook