chempirical

2-Nonadecanone

C19H38OCAS 629-66-3282.51 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C19H38O
Molar mass
282.51 g/mol
Exact mass
282.2923 Da
Melting point
57 °C
Boiling point
162 °C (at 1.5 Torr)
logP
6.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
16

Identifiers

CAS number
629-66-3
SMILES
CCCCCCCCCCCCCCCCCC(C)=O
InChIKey
IEDKVDCIEARIIU-UHFFFAOYSA-N
InChI
InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3

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Names and synonyms

3 names
  • Methyl heptadecyl ketone
  • 2-Oxononadecane
  • Heptadecyl methyl ketone

Work with 2-Nonadecanone

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

2-Octanone111-13-7100 % similar 2-Undecanone112-12-9100 % similar 2-Tetradecanone2345-27-9100 % similar 2-Pentadecanone2345-28-0100 % similar 2-Tridecanone593-08-8100 % similar 2-Dodecanone6175-49-1100 % similar 2-Decanone693-54-9100 % similar 2-Nonanone821-55-6100 % similar

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

Same formula

Nonyl ketone504-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook