1,5-Dichloro-3-pentanone

C₅H₈Cl₂OCAS 3592-25-4155.02 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₅H₈Cl₂O
Molar mass: 155.02 g/mol
Exact mass: 153.9952 Da
Boiling point: 74 °C (at 0.8 Torr)
logP: 1.81Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

3592-25-4

SMILES

O=C(CCCl)CCCl

InChIKey

LYJQMHVYFFZQGY-UHFFFAOYSA-N

InChI

InChI=1S/C5H8Cl2O/c6-3-1-5(8)2-4-7/h1-4H2

Weigh it out

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

Names and synonyms

2 names

3-Pentanone, 1,5-dichloro-
Bis(2-chloroethyl) ketone

Work with 1,5-Dichloro-3-pentanone

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

3-Chloropropionyl chloride625-36-550 % similar 3-Chloropropionic acid107-94-848 % similar 4-Chloro-2-butanone6322-49-248 % similar Cyclohexanone108-94-144 % similar Cyclooctanone502-49-844 % similar Cyclopentadecanone502-72-744 % similar Cyclododecanone830-13-744 % similar Tetrahydrothiopyran-4-one1072-72-640 % similar

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

Same formula

5-Chlorovaleryl chloride1575-61-7 3-Chloro-2,2-dimethylpropanoyl chloride4300-97-4 3,3-Bis(chloromethyl)oxetane78-71-7

Elsewhere

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