chempirical

Sodium valerate

C5H9NaO2CAS 6106-41-8124.11 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C5H9NaO2
Molar mass
124.11 g/mol
Exact mass
124.0500 Da
Melting point
210 °C
logP
0.88Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
6106-41-8
SMILES
CCCCC([O-])=O.[Na+]
InChIKey
RWSZDLPYUAAMDO-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);

Weigh it out

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

Names and synonyms

6 names
  • Pentanoic acid, sodium salt (1:1)
  • Valeric acid, sodium salt
  • Pentanoic acid, sodium salt
  • Sodium pentanoate
  • Sodium n-pentanoate
  • Sodium n-valerate

Work with Sodium valerate

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 hexanoate10051-44-288 % similar Sodium caprate1002-62-684 % similar Sodium octanoate1984-06-184 % similar Sodium palmitate408-35-584 % similar Sodium laurate629-25-484 % similar Sodium myristate822-12-884 % similar Sodium stearate822-16-284 % similar Sodium butyrate156-54-775 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook