chempirical

C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate

C8H12Cl2O6CAS 17134-17-7275.08 g/mol

Open in Covalent MOL file
OClOOOOOCl
Acyl halideEther

Properties

Molecular formula
C8H12Cl2O6
Molar mass
275.08 g/mol
Exact mass
274.0011 Da
Density
1.34 g/mL (at 20 °C)
logP
1.77Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
9

Identifiers

CAS number
17134-17-7
SMILES
O=C(Cl)OCCOCCOCCOC(=O)Cl
InChIKey
IFOIGJKHVZBFPR-UHFFFAOYSA-N
InChI
InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2

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

Names and synonyms

5 names
  • Carbonochloridic acid, C,C′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester
  • Carbonochloridic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
  • 1,8-Bis[(chlorocarbonyl)oxy]-3,6-dioxaoctane
  • Triethylene glycol bis(chloroformate)
  • 2-[2-(2-Carbonochloridoyloxyethoxy)ethoxy]ethyl carbonochloridate

Work with C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate

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

C,C′-(Oxydi-2,1-ethanediyl) dicarbonochloridate106-75-2100 % similar 2-Methoxyethyl chloroformate628-12-663 % similar 2-Chloroethyl chlorocarbonate627-11-261 % similar Propyl chloroformate109-61-558 % similar 3-Chloropropyl chloroformate628-11-556 % similar Butyl chloroformate592-34-754 % similar Chloromethyl chloroformate22128-62-752 % similar Pentyl chloroformate638-41-552 % similar

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

Elsewhere

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