chempirical

3,6,9-Trioxaundecanedioic acid

C8H14O7CAS 13887-98-4222.19 g/mol

Open in Covalent MOL file
OHOOOOOOH
Carboxylic acidEther

Properties

Molecular formula
C8H14O7
Molar mass
222.19 g/mol
Exact mass
222.0740 Da
logP
-0.79Crippen estimate
Polar surface area
102.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10

Identifiers

CAS number
13887-98-4
SMILES
O=C(O)COCCOCCOCC(=O)O
InChIKey
HJZZQNLKBWJYPD-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

10 names
  • Acetic acid, 2,2′-[oxybis(2,1-ethanediyloxy)]bis-
  • Acetic acid, [oxybis(ethyleneoxy)]di-
  • 2,2′-[Oxybis(2,1-ethanediyloxy)]bis[acetic acid]
  • Bis[2-(carboxymethoxy)ethyl] ether
  • Tetraglycolic acid
  • Diethylene glycol bis(carboxymethyl ether)
  • 3,6,9-Trioxaundecane-1,11-dioic acid
  • [2-{2-(Carboxymethoxy)ethoxy}ethoxy]acetic acid
  • 2-(2-(Carboxymethoxy)ethoxy)ethoxyacetic acid
  • 3,6,9-Trioxaundecandioic acid

Work with 3,6,9-Trioxaundecanedioic acid

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

2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-794 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-794 % similar [2-(2-Methoxyethoxy)ethoxy]acetic acid16024-58-175 % similar Diglycolic acid110-99-674 % similar (2-Methoxyethoxy)acetic acid16024-56-971 % similar 2-(2-(2-Aminoethoxy)ethoxy)acetic acid hydrochloride134979-01-467 % similar 2-(2-Chloroethoxy)acetic acid14869-41-167 % similar Polyethylene glycol carboxymethyl lauryl ether sodium salt33939-64-964 % similar

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

Same formula

Ethyl β-D-glucuronide17685-04-0

Elsewhere

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