chempirical

3-Dodecanone

C12H24OCAS 1534-27-6184.32 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C12H24O
Molar mass
184.32 g/mol
Exact mass
184.1827 Da
Melting point
18–19 °C
Boiling point
129–130 °C (at 18 Torr)
logP
4.11Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
9

Identifiers

CAS number
1534-27-6
SMILES
CCCCCCCCCC(=O)CC
InChIKey
PERIHWAPLOBAJM-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Ethyl nonyl ketone
  • NSC 158522

Work with 3-Dodecanone

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-Hexadecanone18787-64-9100 % 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

2-Methylundecanal110-41-8 Dodecanal112-54-9 2,6,8-Trimethyl-4-nonanone123-18-2 Cyclododecanol1724-39-6 5-Dodecanone19780-10-0 1,2-Epoxydodecane2855-19-8 2-Dodecanone6175-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook