chempirical

Diheptyl ketone

C15H30OCAS 818-23-5226.40 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C15H30O
Molar mass
226.40 g/mol
Exact mass
226.2297 Da
Melting point
43 °C
Boiling point
291 °C
logP
5.28Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
12

Identifiers

CAS number
818-23-5
SMILES
CCCCCCCC(=O)CCCCCCC
InChIKey
PQYGSSYFJIJDFK-UHFFFAOYSA-N
InChI
InChI=1S/C15H30O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h3-14H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • 8-Pentadecanone
  • Heptyl ketone
  • Caprylone
  • NSC 595

Work with Diheptyl ketone

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

11-Heneicosanone19781-72-7100 % similar 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 5-Dodecanone19780-10-095 % similar 6-Undecanone927-49-194 % similar

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

Same formula

2,6-Bis(1,1-dimethylethyl)-4-methylcyclohexanol163119-16-2 2-Pentadecanone2345-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook