chempirical

11-Heneicosanone

C21H42OCAS 19781-72-7310.57 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C21H42O
Molar mass
310.57 g/mol
Exact mass
310.3236 Da
Melting point
64.3–64.5 °C
logP
7.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
18

Identifiers

CAS number
19781-72-7
SMILES
CCCCCCCCCCC(=O)CCCCCCCCCC
InChIKey
DOACSXJVHDTDSG-UHFFFAOYSA-N
InChI
InChI=1S/C21H42O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Didecyl ketone
  • Heneicosene-11-one
  • NSC 93984

Work with 11-Heneicosanone

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

Hexyl ketone462-18-0100 % similar 18-Pentatriacontanone504-53-0100 % similar Nonyl ketone504-57-4100 % similar 12-Tricosanone540-09-0100 % similar 14-Heptacosanone542-50-7100 % similar Diheptyl ketone818-23-5100 % similar 5-Dodecanone19780-10-095 % similar 6-Undecanone927-49-194 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook