chempirical

3-Hexadecanone

C16H32OCAS 18787-64-9240.43 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C16H32O
Molar mass
240.43 g/mol
Exact mass
240.2453 Da
Melting point
43 °C
Boiling point
184 °C (at 17 Torr)
logP
5.67Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
13

Identifiers

CAS number
18787-64-9
SMILES
CCCCCCCCCCCCCC(=O)CC
InChIKey
LTMXHUUHBSCKEK-UHFFFAOYSA-N
InChI
InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3

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

Names and synonyms

2 names
  • NSC 158511
  • Cetan-3-one

Work with 3-Hexadecanone

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

3-Dodecanone1534-27-6100 % similar 3-Undecanone2216-87-7100 % similar 3-Nonanone925-78-0100 % similar 3-Decanone928-80-3100 % similar 3-Octanone106-68-395 % similar 3-Heptanone106-35-482 % similar 11-Heneicosanone19781-72-777 % similar Hexyl ketone462-18-077 % similar

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

Same formula

(Z)-11-Hexadecenol56683-54-6 1,2-Epoxyhexadecane7320-37-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook