chempirical

5-Methyl-2-hexanone

C7H14OCAS 110-12-3114.19 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C7H14O
Molar mass
114.19 g/mol
Exact mass
114.1045 Da
Density
0.888 g/mL (at 20 °C)
Melting point
−74 °C
Boiling point
144 °C
logP
2.01Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
110-12-3
SMILES
CC(=O)CCC(C)C
InChIKey
FFWSICBKRCICMR-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Hexanone, 5-methyl-
  • Isoamyl methyl ketone
  • 2-Methyl-5-hexanone
  • Methyl isoamyl ketone
  • MIAK
  • Isopentyl methyl ketone
  • Methyl isopentyl ketone
  • 3-Methylbutyl methyl ketone

Work with 5-Methyl-2-hexanone

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

Methyl isobutyl ketone108-10-157 % similar Hexane-2,5-dione110-13-455 % similar 4-Methylpentanoyl chloride38136-29-750 % similar 4-Methylpentanoic acid646-07-150 % similar 6-Methyl-2,4-heptanedione3002-23-146 % similar 2-Pentanone107-87-946 % similar 4-Hydroxy-2-butanone590-90-944 % similar 4-Chloro-2-butanone6322-49-244 % similar

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

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 2-Heptanone110-43-0 Heptanal111-71-7 4-Heptanone123-19-3 2,3-Dimethylpentanal32749-94-3 trans-2-Hepten-1-ol33467-76-4 (±)-1-Hepten-3-ol4938-52-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook