chempirical

12-Crown-4

C8H16O4CAS 294-93-9176.21 g/mol

Open in Covalent MOL file
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Ether

Properties

Molecular formula
C8H16O4
Molar mass
176.21 g/mol
Exact mass
176.1049 Da
Melting point
16 °C
Boiling point
61–70 °C
logP
0.07Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
294-93-9
SMILES
C1COCCOCCOCCO1
InChIKey
XQQZRZQVBFHBHL-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2

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Names and synonyms

4 names
  • 1,4,7,10-Tetraoxacyclododecane
  • Ethylene oxide cyclic tetramer
  • 12-Crown-4-ether
  • 12C4

Work with 12-Crown-4

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

1,4-Dioxane123-91-1100 % similar 15-Crown-533100-27-5100 % similar Ethylene oxide75-21-8100 % similar Tetrahydrofuran109-99-956 % similar Oxetane503-30-056 % similar Dioxolane646-06-056 % similar Diglyme111-96-650 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-550 % similar

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

Same formula

Metaldehyde108-62-3 Carbitol acetate112-15-2 (3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate1208313-97-6 2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol23147-57-1 Ethyl diethoxyacetate6065-82-3

Elsewhere

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