chempirical

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

Identifiers

CAS number
1002-62-6
SMILES
CCCCCCCCCC([O-])=O.[Na+]
InChIKey
CTTKODQWVMTOPW-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);

Weigh it out

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

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

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

PubChem CAS Common Chemistry NIST WebBook