chempirical

Methyl elaidate

C19H36O2CAS 1937-62-8296.49 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C19H36O2
Molar mass
296.49 g/mol
Exact mass
296.2715 Da
Density
0.879 g/mL (at 16 °C)
Melting point
10.75 °C
Boiling point
164–165 °C (at 0.5 Torr)
logP
6.20Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
15
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
1937-62-8
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC
InChIKey
QYDYPVFESGNLHU-ZHACJKMWSA-N
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+

Weigh it out

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

Names and synonyms

7 names
  • 9-Octadecenoic acid, methyl ester, (9E)-
  • Elaidic acid, methyl ester
  • 9-Octadecenoic acid, methyl ester, (E)-
  • Methyl trans-9-octadecenoate
  • Methyl 9(E)-octadecenoate
  • 9(E)-Octadecenoic acid methyl ester
  • trans-Oleic acid methyl ester

Work with Methyl elaidate

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 palmitoleate1120-25-8100 % similar Methyl erucate1120-34-9100 % similar Methyl linoleate112-63-090 % similar Methyl heptanoate106-73-082 % similar Methyl decanoate110-42-982 % similar Methyl octanoate111-11-582 % similar Methyl laurate111-82-082 % similar Methyl palmitate112-39-082 % similar

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

Same formula

Methyl oleate112-62-9 Hexadecyl acrylate13402-02-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook