4-Iodotetrahydro-2H-pyran

C₅H₉IOCAS 25637-18-7212.03 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₅H₉IO
Molar mass: 212.03 g/mol
Exact mass: 211.9698 Da
logP: 1.60Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid50% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

25637-18-7

SMILES

C1COCCC1I

InChIKey

JTRNQTFTRDPITG-UHFFFAOYSA-N

InChI

InChI=1S/C5H9IO/c6-5-1-3-7-4-2-5/h5H,1-4H2

Weigh it out

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

Work with 4-Iodotetrahydro-2H-pyran

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

Tetrahydro-3-iodofuran121138-01-067 % similar Iodocyclopentane1556-18-947 % similar 3-Iodooxetane26272-85-544 % similar Iodocyclohexane626-62-044 % similar 4-(Iodomethyl)tetrahydro-2H-pyran101691-94-543 % similar 4-Chlorotetrahydro-2H-pyran1768-64-540 % similar Tetrahydro-4H-pyran-4-ol2081-44-940 % similar 4-Bromotetrahydropyran25637-16-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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