chempirical

Benzo-15-crown-5

C14H20O5CAS 14098-44-3268.31 g/mol

Open in Covalent MOL file
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Ether

Properties

Molecular formula
C14H20O5
Molar mass
268.31 g/mol
Exact mass
268.1311 Da
Density
1.23 g/mL
Melting point
78–80 °C
logP
1.51Crippen estimate
Polar surface area
46.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14098-44-3
SMILES
c1ccc2c(c1)OCCOCCOCCOCCO2
InChIKey
FNEPSTUXZLEUCK-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2

Weigh it out

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

Names and synonyms

8 names
  • 2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
  • 1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-
  • 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
  • Monobenzo-15-crown-5
  • 2,3-Benzo-15-crown-5
  • 2,3-Benzo-1,4,7,10,13-pentaoxacyclopentadecane
  • Benzo15C5
  • NSC 175877

Work with Benzo-15-crown-5

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

Benzo-18-crown-614098-24-9100 % similar Benzo-12-crown-414174-08-4100 % similar Dibenzo-24-crown-814174-09-5100 % similar Dibenzo-18-crown-614187-32-7100 % similar Dibenzo-30-crown-1017455-25-3100 % similar Benzodioxan493-09-482 % similar 1,3-Benzodioxole274-09-955 % similar 1,2-Diethoxybenzene2050-46-655 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook