chempirical

Methoxyethyl oleate

C21H40O3CAS 111-10-4340.55 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterEther

Properties

Molecular formula
C21H40O3
Molar mass
340.55 g/mol
Exact mass
340.2977 Da
Melting point
93.5–94.5 °C
Boiling point
190–197 °C (at 1 Torr)
logP
6.21Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
18

Identifiers

CAS number
111-10-4
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)OCCOC
InChIKey
UFARNTYYPHYLGN-KHPPLWFESA-N
InChI
InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-

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

Names and synonyms

8 names
  • 9-Octadecenoic acid (9Z)-, 2-methoxyethyl ester
  • Oleic acid, 2-methoxyethyl ester
  • 9-Octadecenoic acid (Z)-, 2-methoxyethyl ester
  • Ethanol, 2-methoxy-, oleate
  • Ethylene glycol monomethyl ether oleate
  • Kapsolat
  • 2-Methoxyethyl oleate
  • NSC 403908

Work with Methoxyethyl 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

Butyl oleate142-77-877 % similar Decyl oleate3687-46-577 % similar Polyethylene glycol monooleate9004-96-069 % similar Ethyl oleate111-62-668 % similar 1,6-Bis(2-methoxyethyl) hexanedioate106-00-367 % similar Methyl oleate112-62-965 % similar Methyl palmitoleate1120-25-865 % similar Methyl erucate1120-34-965 % similar

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

Elsewhere

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