chempirical

Hexadecyl carbonochloridate

C17H33ClO2CAS 26272-90-2304.90 g/mol

Open in Covalent MOL file
OOCl
Acyl halide

Properties

Molecular formula
C17H33ClO2
Molar mass
304.90 g/mol
Exact mass
304.2169 Da
logP
6.84Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
15

Identifiers

CAS number
26272-90-2
SMILES
CCCCCCCCCCCCCCCCOC(=O)Cl
InChIKey
HOQUWXSARQBQCW-UHFFFAOYSA-N
InChI
InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Carbonochloridic acid, hexadecyl ester
  • Formic acid, chloro-, hexadecyl ester
  • Cetyl chloroformate
  • Chloroformic acid cetyl ester
  • Hexadecyl chloroformate
  • Palmityloxycarbonyl chloride
  • n-Hexadecyl chloroformate
  • NSC 137911

Work with Hexadecyl carbonochloridate

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

Dodecyl chloroformate24460-74-0100 % similar Heptyl carbonochloridate33758-34-8100 % similar Hexyl chloroformate6092-54-2100 % similar Pentyl chloroformate638-41-596 % similar Butyl chloroformate592-34-784 % similar Propyl chloroformate109-61-569 % similar Dicaprylyl carbonate1680-31-561 % similar Heptyl acetate112-06-157 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook