chempirical

Stearoyl chloride

C18H35ClOCAS 112-76-5302.93 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C18H35ClO
Molar mass
302.93 g/mol
Exact mass
302.2376 Da
Melting point
23 °C
Boiling point
215 °C (at 15 Torr)
logP
7.01Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
16

Identifiers

CAS number
112-76-5
SMILES
CCCCCCCCCCCCCCCCCC(=O)Cl
InChIKey
WTBAHSZERDXKKZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3

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Names and synonyms

7 names
  • Octadecanoyl chloride
  • Stearic acid chloride
  • Stearic chloride
  • Stearyl chloride
  • Octadecanoic acid chloride
  • Octadecyloyl chloride
  • Stearyl acid chloride

Work with Stearoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octanoyl chloride111-64-8100 % similar Decanoyl chloride112-13-0100 % similar Lauroyl chloride112-16-3100 % similar Tetradecanoyl chloride112-64-1100 % similar Palmitoyl chloride112-67-4100 % similar Undecanoyl chloride17746-05-3100 % similar Heptanoyl chloride2528-61-2100 % similar Nonanoyl chloride764-85-2100 % similar

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

Elsewhere

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