chempirical

Hexanoyl chloride

C6H11ClOCAS 142-61-0134.60 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C6H11ClO
Molar mass
134.60 g/mol
Exact mass
134.0498 Da
Density
0.9802 g/mL (at 15 °C)
Melting point
−87 °C
Boiling point
153 °C
logP
2.33Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
142-61-0
SMILES
CCCCCC(=O)Cl
InChIKey
YWGHUJQYGPDNKT-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Caproyl chloride
  • n-Caproyl chloride
  • Caproic chloride
  • n-Hexanoyl chloride
  • Caproic acid chloride
  • Hexanoic acid chloride
  • 1-Pentanecarbonyl chloride

Work with Hexanoyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octanoyl chloride111-64-895 % similar Decanoyl chloride112-13-095 % similar Lauroyl chloride112-16-395 % similar Tetradecanoyl chloride112-64-195 % similar Palmitoyl chloride112-67-495 % similar Stearoyl chloride112-76-595 % similar Undecanoyl chloride17746-05-395 % similar Heptanoyl chloride2528-61-295 % similar

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

Same formula

6-Chloro-2-hexanone10226-30-9 1-Chloropinacolone13547-70-1 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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