Sodium caprate

C10H19NaO2CAS 1002-62-6194.25 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C10H19NaO2
Molar mass
194.25 g/mol
Exact mass
194.1283 Da
Melting point
318 °C
logP
2.83Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8

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
1002-62-6
SMILES
CCCCCCCCCC([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

6 names
  • Decanoic acid, sodium salt (1:1)
  • Decanoic acid, sodium salt
  • Sodium caprinate
  • Sodium decanoate
  • Sodium decanoic acid
  • Capric acid sodium salt

Work with Sodium caprate

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.

Capric acid334-48-5Free acid

Similar compounds

Sodium octanoate1984-06-1100 % similar Sodium palmitate408-35-5100 % similar Sodium laurate629-25-4100 % similar Sodium myristate822-12-8100 % similar Sodium stearate822-16-2100 % similar Sodium hexanoate10051-44-296 % similar Sodium valerate6106-41-884 % similar Sodium oleate143-19-180 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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