4-(Iodomethyl)tetrahydro-2H-pyran

C₆H₁₁IOCAS 101691-94-5226.06 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₆H₁₁IO
Molar mass: 226.06 g/mol
Exact mass: 225.9855 Da
logP: 1.85Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101691-94-5

SMILES

C1COCCC1CI

InChIKey

MQLFSPBSNWUXSO-UHFFFAOYSA-N

InChI

InChI=1S/C6H11IO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2

Weigh it out

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

Names and synonyms

1 names

4-(Iodomethyl)oxane

Work with 4-(Iodomethyl)tetrahydro-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

4-Bromomethyltetrahydropyran125552-89-845 % similar 4-Aminomethyltetrahydropyran130290-79-845 % similar (Tetrahydro-2H-pyran-4-yl)methanol14774-37-945 % similar 2-(Tetrahydro-pyran-4-yl)-ethanol4677-18-343 % similar 4-(2-Bromoethyl)-tetrahydropyran4677-20-743 % similar 2-(Oxan-4-yl)ethan-1-amine65412-03-543 % similar 4-Iodotetrahydro-2H-pyran25637-18-743 % similar 2-(Iodomethyl)oxetane121138-00-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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