chempirical

2-[(2-Chloroethoxy)ethoxy]ethanol

C6H13ClO3CAS 5197-62-6168.62 g/mol

Open in Covalent MOL file
HOOOCl
AlcoholAlkyl halideEther

Properties

Molecular formula
C6H13ClO3
Molar mass
168.62 g/mol
Exact mass
168.0553 Da
Boiling point
113–114 °C (at 2 Torr)
logP
0.25Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7

Identifiers

CAS number
5197-62-6
SMILES
OCCOCCOCCCl
InChIKey
KECMLGZOQMJIBM-UHFFFAOYSA-N
InChI
InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2

Weigh it out

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

Names and synonyms

12 names
  • Ethanol, 2-[2-(2-chloroethoxy)ethoxy]-
  • 2-[2-(2-Chloroethoxy)ethoxy]ethanol
  • Triethylene glycol monochloride
  • 8-Chloro-3,6-dioxa-1-octanol
  • Diethylene glycol mono(2-chloroethyl) ether
  • Triethylene glycol monochlorohydrin
  • 8-Chloro-3,6-dioxaoctanol
  • NSC 2636
  • 2-[2-(2-Hydroxyethoxy)ethoxy]ethyl chloride
  • 2-(2-(2-Chloroethoxy)ethoxy)ethan-1-ol
  • 2-(2-(2-Chlorethoxy)ethoxy)ethanol
  • PEG 168

Work with 2-[(2-Chloroethoxy)ethoxy]ethanol

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-(Chloroethoxy)ethanol628-89-794 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-567 % similar Triethylene glycol112-27-667 % similar Tetraethylene glycol112-60-767 % similar Hexaethylene glycol2615-15-867 % similar 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol3386-18-367 % similar Pentaethylene glycol4792-15-867 % similar Octaethylene glycol5117-19-167 % similar

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

Elsewhere

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