chempirical

12-Tricosanone

C23H46OCAS 540-09-0338.62 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C23H46O
Molar mass
338.62 g/mol
Exact mass
338.3549 Da
Density
0.866 g/mL (at 12 °C)
Melting point
70.2 °C
logP
8.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
20

Hazards

Not classified as hazardous under GHS by 22 ECHA notifiers. Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
540-09-0
SMILES
CCCCCCCCCCCC(=O)CCCCCCCCCCC
InChIKey
VARQGBHBYZTYLJ-UHFFFAOYSA-N
InChI
InChI=1S/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

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

Names and synonyms

5 names
  • Laurone
  • Undecyl ketone
  • Diundecyl ketone
  • Lauron
  • NSC 2200

Reactions

Work with 12-Tricosanone

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 14-Heptacosanone542-50-7100 % similar Diheptyl ketone818-23-5100 % similar 5-Dodecanone19780-10-095 % similar 6-Undecanone927-49-194 % similar 4-Undecanone14476-37-090 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook