chempirical

1,6-Bis(2-methoxyethyl) hexanedioate

C12H22O6CAS 106-00-3262.30 g/mol

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EsterEther

Properties

Molecular formula
C12H22O6
Molar mass
262.30 g/mol
Exact mass
262.1416 Da
Density
1.045 g/mL (at 25 °C)
Boiling point
182–185 °C (at 9 Torr)
logP
0.93Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
106-00-3
SMILES
COCCOC(=O)CCCCC(=O)OCCOC
InChIKey
GVRNUDCCYWKHMV-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3-10H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Hexanedioic acid, 1,6-bis(2-methoxyethyl) ester
  • Adipic acid, bis(2-methoxyethyl) ester
  • Hexanedioic acid, bis(2-methoxyethyl) ester
  • Ethanol, 2-methoxy-, adipate (2:1)
  • Bis(2-methoxyethyl) adipate
  • Di(2-methoxyethyl) adipate
  • NSC 7329

Work with 1,6-Bis(2-methoxyethyl) hexanedioate

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

Ethylene brassylate105-95-370 % similar Methoxyethyl oleate111-10-467 % similar Delta-valerolactone542-28-963 % similar Glycol distearate627-83-861 % similar Pentadecalactone106-02-560 % similar Hexadecanolide109-29-560 % similar Polycaprolactone24980-41-460 % similar Caprolactone502-44-360 % similar

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

Same formula

1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-3 Dibutyl tartrate87-92-3

Elsewhere

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