chempirical

14-Heptacosanone

C27H54OCAS 542-50-7394.73 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C27H54O
Molar mass
394.73 g/mol
Exact mass
394.4175 Da
Melting point
77.5 °C
logP
9.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
24

Identifiers

CAS number
542-50-7
SMILES
CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC
InChIKey
VCZMOZVQLARCOE-UHFFFAOYSA-N
InChI
InChI=1S/C27H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Ditridecyl ketone
  • Myristone
  • Myriston
  • Tridecyl ketone
  • NSC 15184

Work with 14-Heptacosanone

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

11-Heneicosanone19781-72-7100 % similar Hexyl ketone462-18-0100 % similar Nonyl ketone504-57-4100 % similar Diheptyl ketone818-23-5100 % similar 5-Dodecanone19780-10-095 % similar 6-Undecanone927-49-194 % similar 4-Undecanone14476-37-090 % similar 4-Decanone624-16-890 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook