chempirical

3-Pentanone

C5H10OCAS 96-22-086.13 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C5H10O
Molar mass
86.13 g/mol
Exact mass
86.0732 Da
Density
0.816 g/mL (at 19 °C)
Melting point
−39 °C
Boiling point
101.9 °C
logP
1.38Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
96-22-0
SMILES
CCC(=O)CC
InChIKey
FDPIMTJIUBPUKL-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • DEK
  • Diethyl ketone
  • Dimethylacetone
  • Ethyl ketone
  • Metacetone
  • Methacetone
  • Propione
  • ZED 2EK
  • NSC 8653

Work with 3-Pentanone

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

3,6-Octanedione2955-65-973 % similar 3,5-Heptanedione7424-54-673 % similar 3-Hexanone589-38-861 % similar Bromomethyl ethyl ketone816-40-061 % similar 3-Heptanone106-35-455 % similar Methylthiomethyl ethyl ketone13678-58-555 % similar 2,4-Hexanedione3002-24-255 % similar 3-Octanone106-68-352 % similar

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

Same formula

2-Pentanone107-87-9 Pentanal110-62-3 2-Methyl-3-buten-2-ol115-18-4 Tetrahydropyran142-68-7 (+-)-3-Penten-2-ol1569-50-2 cis-2-Penten-1-ol1576-95-0 2-Cyclopropylethanol2566-44-1 Cyclobutanemethanol4415-82-1

Elsewhere

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