5-Oxohexanoic acid
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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
3128-06-1SMILES
CC(=O)CCCC(=O)OInChIKey
MGTZCLMLSSAXLD-UHFFFAOYSA-NInChI
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
6-Oxoheptanoic acid3128-07-291 % similar
Levulinic acid123-76-274 % similar
Glutaric acid110-94-167 % similar
Adipic acid124-04-959 % similar
Pimelic acid111-16-057 % similar
Sebacic acid111-20-657 % similar
Azelaic acid123-99-957 % similar
Pentadecanedioic acid1460-18-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.