Dicyclohexano-18-crown-6

C₂₀H₃₆O₆CAS 16069-36-6372.50 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₂₀H₃₆O₆
Molar mass: 372.50 g/mol
Exact mass: 372.2512 Da
Melting point: 68.5–95 °C
Boiling point: 342 °C (at 755 Torr)
logP: 2.72Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.9% of notifiers
H311 Toxic in contact with skin89.4% of notifiers
H315 Causes skin irritation83% of notifiers
H319 Causes serious eye irritation93.6% of notifiers
H331 Toxic if inhaled80.9% of notifiers
H335 May cause respiratory irritation83% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16069-36-6

SMILES

C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1

InChIKey

BBGKDYHZQOSNMU-UHFFFAOYSA-N

InChI

InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2

Weigh it out

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

Names and synonyms

12 names

Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-
Eicosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
Dicyclohexyl-18-crown-6
Perhydrodibenzo-18-crown-6
DCH18C6
2,5,8,15,18,21-Hexaoxatricyclo[20.4.0.09,14]hexacosane
2,3,11,12-Dicyclohexano-1,4,7-10,13,16-hexaoxacyclooctadecane
DCH-18-crown-6
cis-Dicyclohexano-18-crown-6
NSC 252171
SuperLig 332
Dicyclohexano-18-crown-6-ether

Work with Dicyclohexano-18-crown-6

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

Cyclohexene oxide286-20-442 % similar Cyclooctene oxide286-62-440 % similar 13-Oxabicyclo[10.1.0]tridecane286-99-740 % similar 1,4-Dioxane123-91-138 % similar 18-Crown-617455-13-938 % similar 12-Crown-4294-93-938 % similar 15-Crown-533100-27-538 % similar Ethylene oxide75-21-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook