chempirical

Cerous 2-ethylhexoate

C24H45CeO6CAS 56797-01-4569.73 g/mol

Open in Covalent MOL file
O−OO−OO−OCe3+
Carboxylic acid

Properties

Molecular formula
C24H45CeO6
Molar mass
569.73 g/mol
Exact mass
569.2271 Da
logP
2.29Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
56797-01-4
SMILES
CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.[Ce+3]
InChIKey
LBMMCVVPEBMSDD-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Ce/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);

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Names and synonyms

6 names
  • Hexanoic acid, 2-ethyl-, cerium(3+) salt (3:1)
  • Hexanoic acid, 2-ethyl-, cerium(3+) salt
  • Cerium tris(2-ethylhexanoate)
  • Cerium(III) 2-ethylhexanoate
  • Cerium tri(2-ethylhexanoate)
  • Cerium hex-cem

Work with Cerous 2-ethylhexoate

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 Sodium 2-ethylhexanoate19766-89-381 % similar Lead bis(2-ethylhexanoate)301-08-681 % similar Tin(II) 2-ethylhexanoate301-10-081 % similar

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

Elsewhere

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