chempirical

1-Monolinolein

C21H38O4CAS 2277-28-3354.53 g/mol

Open in Covalent MOL file
OOOHOH
AlcoholAlkeneEster

Properties

Molecular formula
C21H38O4
Molar mass
354.53 g/mol
Exact mass
354.2770 Da
Melting point
14–15 °C
logP
4.70Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
17

Identifiers

CAS number
2277-28-3
SMILES
CCCCC/C=CC/C=CCCCCCCCC(=O)OCC(O)CO
InChIKey
WECGLUPZRHILCT-HZJYTTRNNA-N
InChI
InChI=1/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-

Weigh it out

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

Names and synonyms

16 names · show all
  • 9,12-Octadecadienoic acid (9Z,12Z)-, 2,3-dihydroxypropyl ester
  • Linolein, 1-mono-
  • 9,12-Octadecadienoic acid (Z,Z)-, 2,3-dihydroxypropyl ester
  • α-Glyceryl linoleate
  • Glycerol 1-monolinolate
  • 1-Glyceryl linoleate
  • Oleinate 288
  • α-Monolinolein
  • 1-Linoleylglycerol
  • 1-Monolinoleoyl-rac-glycerol
  • (±)-2,3-Dihydroxypropyl 9(Z),12(Z)-octadecadienoate
  • 2,3-Dihydroxypropyl linoleate
  • 3-O-(9Z,12Z-Octadecadienoyl)glycerol
  • 1-O-(9Z,12Z-Octadecadienoyl)glycerol
  • (9Z,12Z)-2,3-Dihydroxypropyl octadecadienoate
  • 1-Linoleoyl-rac-glycerol

Work with 1-Monolinolein

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

Glycerol 1-monooleate111-03-593 % similar 1-Monostearin123-94-480 % similar 1-Monolaurin142-18-780 % similar 1-Monopalmitin19670-51-080 % similar 1-Monolaurin40738-26-980 % similar 1-Monopalmitin542-44-980 % similar 1-Monomyristin589-68-480 % similar 1-Monomyristin75685-84-680 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook