1,2-Bis(2-iodoethoxy)ethane

C₆H₁₂I₂O₂CAS 36839-55-1369.97 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₆H₁₂I₂O₂
Molar mass: 369.97 g/mol
Exact mass: 369.8927 Da
logP: 1.89Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

36839-55-1

SMILES

C(COCCI)OCCI

InChIKey

BCAGFJXMCZSAHD-UHFFFAOYSA-N

InChI

InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

Weigh it out

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

Work with 1,2-Bis(2-iodoethoxy)ethane

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

1,4-Dioxane123-91-150 % similar 18-Crown-617455-13-950 % similar 12-Crown-4294-93-950 % similar 15-Crown-533100-27-550 % similar Ethylene oxide75-21-850 % similar 2.2.2-Cryptand23978-09-841 % similar 1,2-Diiodoethane624-73-738 % similar Dimorpholinodiethyl ether6425-39-435 % similar

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

Elsewhere

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