chempirical

6-Chloro-2-hexanone

C6H11ClOCAS 10226-30-9134.60 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C6H11ClO
Molar mass
134.60 g/mol
Exact mass
134.0498 Da
Boiling point
85–86 °C (at 16 Torr)
logP
1.98Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
10226-30-9
SMILES
CC(=O)CCCCCl
InChIKey
CMDIDTNMHQUVPE-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Hexanone, 6-chloro-
  • 5-Oxohexyl chloride
  • 1-Chlorohexan-5-one
  • 4-Chlorobutyl methyl ketone

Work with 6-Chloro-2-hexanone

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

5-Chloro-2-pentanone5891-21-486 % similar 4-Chloro-2-butanone6322-49-268 % similar 2-Heptanone110-43-056 % similar 6-Bromo-2-hexanone10226-29-654 % similar 2-Octanone111-13-754 % similar 2-Undecanone112-12-954 % similar 2-Tetradecanone2345-27-954 % similar 2-Pentadecanone2345-28-054 % similar

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

Same formula

1-Chloropinacolone13547-70-1 Hexanoyl chloride142-61-0 2-Chlorocyclohexanol1561-86-0 2-Ethylbutyryl chloride2736-40-5 4-Methylpentanoyl chloride38136-29-7 2-Methylpentanoyl chloride5238-27-7 2,2-Dimethylbutanoyl chloride5856-77-9 3,3-Dimethylbutanoyl chloride7065-46-5

Elsewhere

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