trans-9,10-Epoxystearic acid methyl ester

C₁₉H₃₆O₃CAS 6084-76-0312.49 g/mol

Open in Covalent MOL file

Epoxide Ester Ether

Properties

Molecular formula: C₁₉H₃₆O₃
Molar mass: 312.49 g/mol
Exact mass: 312.2664 Da
logP: 5.41Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 15
Stereocentres: S, Sin SMILES atom order

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

6084-76-0

SMILES

CCCCCCCC[C@H]1[C@@H](O1)CCCCCCCC(=O)OC

InChIKey

CAMHHLOGFDZBBG-ROUUACIJSA-N

InChI

InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m0/s1

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Work with trans-9,10-Epoxystearic acid methyl ester

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

Methyl heptanoate106-73-074 % similar Methyl decanoate110-42-974 % similar Methyl octanoate111-11-574 % similar Methyl laurate111-82-074 % similar Methyl palmitate112-39-074 % similar Methyl stearate112-61-874 % similar Methyl eicosanoate1120-28-174 % similar Methyl myristate124-10-774 % similar

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

Same formula

Methyl ricinoleate141-24-2 Methyl ricinoleate41989-07-5

Elsewhere

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