chempirical

Sodium 2-ethylhexanoate

C8H15NaO2CAS 19766-89-3166.20 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C8H15NaO2
Molar mass
166.20 g/mol
Exact mass
166.0970 Da
logP
1.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
19766-89-3
SMILES
CCCCC(CC)C([O-])=O.[Na+]
InChIKey
JRVKWZTUEHWGRW-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);

Weigh it out

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

Names and synonyms

5 names
  • Hexanoic acid, 2-ethyl-, sodium salt (1:1)
  • Hexanoic acid, 2-ethyl-, sodium salt
  • 2-Ethylcaproic acid sodium salt
  • Sodium 2-ethylcaproate
  • 2-Ethylhexanoic acid sodium salt

Work with Sodium 2-ethylhexanoate

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

Manganese bis(2-ethylhexanoate)13434-24-781 % similar Calcium 2-ethylhexanoate136-51-681 % similar Cobalt octoate136-52-781 % similar Zinc 2-ethylhexanoate136-53-881 % similar Copper(II) 2-ethylhexanoate149-11-181 % similar Lead bis(2-ethylhexanoate)301-08-681 % similar Tin(II) 2-ethylhexanoate301-10-081 % similar Potassium 2-ethylhexanoate3164-85-081 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sodium valproate1069-66-5 Sodium octanoate1984-06-1 Divalproex sodium76584-70-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook