Isopropyl oleate

C₂₁H₄₀O₂CAS 112-11-8324.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₄₀O₂
Molar mass: 324.55 g/mol
Exact mass: 324.3028 Da
Density: 0.8678 g/mL (at 15 °C)
Melting point: −37.7 °C
Boiling point: 215–217 °C (at NaN Torr)
logP: 6.98Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 16

Identifiers

CAS number

112-11-8

SMILES

CCCCCCCC/C=CCCCCCCCC(=O)OC(C)C

InChIKey

PZQSQRCNMZGWFT-QXMHVHEDSA-N

InChI

InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11-

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

Names and synonyms

3 names

9-Octadecenoic acid (9Z)-, 1-methylethyl ester
Oleic acid, isopropyl ester
9-Octadecenoic acid (Z)-, 1-methylethyl ester

Work with Isopropyl oleate

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

Isopropyl myristate110-27-084 % similar Isopropyl stearate112-10-784 % similar Isopropyl palmitate142-91-684 % similar Isopropyl hexanoate2311-46-881 % similar Propylene glycol dioleate105-62-469 % similar Triolein122-32-768 % similar Diisopropyl sebacate7491-02-368 % similar Oleic anhydride24909-72-668 % similar

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

Same formula

Stearyl acrylate4813-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook