chempirical

4-Chlorotetrahydro-2H-pyran

C5H9ClOCAS 1768-64-5120.58 g/mol

Open in Covalent MOL file
ClO
Alkyl halideEther

Properties

Molecular formula
C5H9ClO
Molar mass
120.58 g/mol
Exact mass
120.0342 Da
Density
1.12 g/mL (at 22 °C)
Boiling point
46 °C (at 12 Torr)
logP
1.40Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1768-64-5
SMILES
ClC1CCOCC1
InChIKey
DHRSKOBIDIDMJZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO/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 and density.

Names and synonyms

4 names
  • 2H-Pyran, 4-chlorotetrahydro-
  • Pyran, 4-chlorotetrahydro-
  • 4-Chlorotetrahydropyran
  • 4-Chlorooxacyclohexane

Work with 4-Chlorotetrahydro-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

Chlorocyclobutane1120-57-647 % similar Chlorocyclopentane930-28-947 % similar Chlorocycloheptane2453-46-544 % similar Cyclohexyl chloride542-18-744 % similar Tetrahydro-2H-pyran-4-ol2081-44-940 % similar Diisoamyl ether544-01-440 % similar 4-(Iodomethyl)tetrahydro-2H-pyran101691-94-536 % similar 4-Bromomethyltetrahydropyran125552-89-836 % similar

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

Same formula

Isovaleryl chloride108-12-3 2-(Chloromethyl)tetrahydrofuran3003-84-7 Pivaloyl chloride3282-30-2 5-Chloro-2-pentanone5891-21-4 Pentanoyl chloride638-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook