chempirical

4-Bromomethyltetrahydropyran

C6H11BrOCAS 125552-89-8179.06 g/mol

Open in Covalent MOL file
OBr
Alkyl halideEther

Properties

Molecular formula
C6H11BrO
Molar mass
179.06 g/mol
Exact mass
177.9993 Da
logP
1.81Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
125552-89-8
SMILES
C1COCCC1CBr
InChIKey
LMOOYAKLEOGKJR-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2

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Names and synonyms

1 names
  • 4-(Bromomethyl)oxane

Work with 4-Bromomethyltetrahydropyran

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

(Bromomethyl)cyclopropane7051-34-559 % similar (Bromomethyl)cyclobutane17247-58-453 % similar (Bromomethyl)cyclopentane3814-30-053 % similar 4-(Iodomethyl)tetrahydro-2H-pyran101691-94-545 % similar 4-Aminomethyltetrahydropyran130290-79-845 % similar (Tetrahydro-2H-pyran-4-yl)methanol14774-37-945 % similar 7-(Bromomethyl)pentadecane52997-43-038 % similar 4-Chlorotetrahydro-2H-pyran1768-64-536 % similar

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

Same formula

6-Bromo-2-hexanone10226-29-6 Bromopinacolone5469-26-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook