4-Oxoundecanoic acid

C₁₁H₂₀O₃CAS 22847-06-9200.28 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₁₁H₂₀O₃
Molar mass: 200.28 g/mol
Exact mass: 200.1412 Da
logP: 2.78Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

22847-06-9

SMILES

CCCCCCCC(=O)CCC(=O)O

InChIKey

KBWRWCSRYCKEOR-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h2-9H2,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

3 names

3-Capryl propionic acid
4-Oxo-undecanoic acid
Undecanoic acid, 4-oxo-

Reactions

4-KETOUNDECANOIC ACID (Undecanoic acid, 4-oxo-)product

Work with 4-Oxoundecanoic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentadecylic acid1002-84-274 % similar Enanthic acid111-14-874 % similar Pelargonic acid112-05-074 % similar Undecylic acid112-37-874 % similar Behenic acid112-85-674 % similar Caprylic acid124-07-274 % similar Lauric acid143-07-774 % similar Heneicosylic acid2363-71-574 % similar

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

Same formula

Methyl 2-hexylacetoacetate70203-04-2

Elsewhere

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