chempirical

2-(3-Bromopropoxy)tetrahydro-2H-pyran

C8H15BrO2CAS 33821-94-2223.11 g/mol

Open in Covalent MOL file
OOBr
AcetalAlkyl halideEther

Properties

Molecular formula
C8H15BrO2
Molar mass
223.11 g/mol
Exact mass
222.0255 Da
logP
2.31Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
33821-94-2
SMILES
C1CCOC(C1)OCCCBr
InChIKey
HJNHUFQGDJLQRS-UHFFFAOYSA-N
InChI
InChI=1S/C8H15BrO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2

Weigh it out

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Work with 2-(3-Bromopropoxy)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

2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-682 % similar 2-(4-Bromobutyl)-1,3-dioxolane87227-41-677 % similar 2-(2-Bromoethyl)-1,3-dioxane33884-43-465 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-457 % similar 2-(Oxan-2-yloxy)ethan-1-ol2162-31-454 % similar O-(Tetrahydropyran-2-yl)hydroxylamine6723-30-450 % similar 2-(Allyloxy)tetrahydropyran4203-49-048 % similar Propargyl tetrahydropyranyl ether6089-04-948 % similar

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

Same formula

1,1-Dimethylethyl 4-bromobutanoate110661-91-1 8-Bromooctanoic acid17696-11-6 1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-5 Ethyl 6-bromohexanoate25542-62-5 2-Bromooctanoic acid2623-82-7 Ethyl 2-bromohexanoate615-96-3

Elsewhere

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