chempirical

1,1′,1′′-[Methylidynetris(oxy)]tris[butane]

C13H28O3CAS 588-43-2232.36 g/mol

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AcetalEther

Properties

Molecular formula
C13H28O3
Molar mass
232.36 g/mol
Exact mass
232.2038 Da
Density
0.8687 g/mL (at 25 °C)
Boiling point
245–247 °C
logP
3.72Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
12

Identifiers

CAS number
588-43-2
SMILES
CCCCOC(OCCCC)OCCCC
InChIKey
SGJBIFUEFLWXJY-UHFFFAOYSA-N
InChI
InChI=1S/C13H28O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h13H,4-12H2,1-3H3

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

Names and synonyms

8 names
  • Butane, 1,1′,1′′-[methylidynetris(oxy)]tris-
  • Orthoformic acid, tributyl ester
  • Tributyl orthoformate
  • Tri-n-butyl orthoformate
  • Tri(n-butoxy)methane
  • Tributoxymethane
  • NSC 8488
  • 1-(Dibutoxymethoxy)butane

Work with 1,1′,1′′-[Methylidynetris(oxy)]tris[butane]

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′,1′′-[Methylidynetris(oxy)]tris[propane]621-76-167 % similar 1,1-Dibutoxy-N,N-dimethylmethanamine18503-90-757 % similar Dibutyl ether142-96-153 % similar Glycol dibutyl ether112-48-150 % similar Diethylene glycol dibutyl ether112-73-250 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-150 % similar N-Butyl glycidyl ether2426-08-650 % similar 1,1′-[Ethylidenebis(oxy)]bis[hexane]5405-58-350 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook