chempirical

5-Oxohexanoic acid

C6H10O3CAS 3128-06-1130.14 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidKetone

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Density
1.11 g/mL (at 20 °C)
Melting point
13.5 °C
Boiling point
274.5 °C
logP
0.83Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
3128-06-1
SMILES
CC(=O)CCCC(=O)O
InChIKey
MGTZCLMLSSAXLD-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

11 names
  • Caproic acid, δ-oxo-
  • 5-Ketohexanoic acid
  • δ-Ketocaproic acid
  • γ-Acetylbutyric acid
  • δ-Oxocaproic acid
  • 4-Acetylbutyric acid
  • 5-Ketocaproic acid
  • 5-Oxocaproic acid
  • δ-Ketohexanoic acid
  • NSC 5281
  • Hexanoic acid, 5-oxo-

Work with 5-Oxohexanoic acid

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glutaric acid110-94-167 % similar Pimelic acid111-16-057 % similar Sebacic acid111-20-657 % similar Pentadecanedioic acid1460-18-057 % similar Heptadecanedioic acid2424-90-057 % similar Eicosanedioic acid2424-92-257 % similar Suberic acid505-48-657 % similar Brassylic acid505-52-257 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0 Ethyl 2-oxobutanoate15933-07-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook