chempirical

1,2-Dioctanoyl-sn-glycerol

C19H36O5CAS 60514-48-9344.49 g/mol

Open in Covalent MOL file
OOHOOO
AlcoholEster

Properties

Molecular formula
C19H36O5
Molar mass
344.49 g/mol
Exact mass
344.2563 Da
logP
4.15Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
16
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
60514-48-9
SMILES
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
InChIKey
ZQBULZYTDGUSSK-KRWDZBQOSA-N
InChI
InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1

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

Names and synonyms

6 names
  • Octanoic acid, 1,1′-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester
  • Octanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (S)-
  • Octanoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester
  • Sn-1,2-Dioctanoylglycerol
  • DiC 8
  • (S)-3-Hydroxypropane-1,2-diyl dioctanoate

Work with 1,2-Dioctanoyl-sn-glycerol

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

(±)-1,2-Dipalmitoylglycerol40290-32-2100 % similar Axona538-23-879 % similar Trilaurin538-24-979 % similar Tripalmitin555-44-279 % similar Tricaprin621-71-679 % similar Triolein122-32-769 % similar Trihydroxystearin139-44-668 % similar 1-Monostearin123-94-467 % similar

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

Same formula

Etc 1002738606-46-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook