chempirical

Pentaerythrityl tetraacetate

C13H20O8CAS 597-71-7304.30 g/mol

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Ester

Properties

Molecular formula
C13H20O8
Molar mass
304.30 g/mol
Exact mass
304.1158 Da
Melting point
83.5 °C
logP
0.23Crippen estimate
Polar surface area
105.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
8

Identifiers

CAS number
597-71-7
SMILES
CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O
InChIKey
OUHCZCFQVONTOC-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3

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

Names and synonyms

8 names
  • Pentaerythritol, tetraacetate
  • 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, 1,3-diacetate
  • 1,3-Propanediol, 2,2-bis[(acetyloxy)methyl]-, diacetate
  • Normo-level
  • Normosterol
  • TAPE
  • NSC 1841
  • [3-Acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate

Work with Pentaerythrityl tetraacetate

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

Glycol diacetate111-55-757 % similar Ethyl acetate141-78-652 % similar 1,3-Diacetoxypropane628-66-052 % similar Butylene glycol diacetate628-67-152 % similar 1,8-Diacetoxy-3,6-dioxaoctane111-21-750 % similar 1,4-Diacetoxy-2-butyne1573-17-750 % similar cis-1,4-Diacetoxy-2-butene25260-60-050 % similar Bromomethyl acetate590-97-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook