3-Hexanone

C₆H₁₂OCAS 589-38-8100.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.816 g/mL (at 15 °C)
Melting point: −55.5 °C
Boiling point: 123.5 °C
logP: 1.77Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

589-38-8

SMILES

CCCC(=O)CC

InChIKey

PFCHFHIRKBAQGU-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Ethyl propyl ketone
3-Oxohexane

Work with 3-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

3,6-Octanedione2955-65-972 % similar 3-Heptanone106-35-471 % similar 3-Octanone106-68-368 % similar 3-Dodecanone1534-27-665 % similar 3-Hexadecanone18787-64-965 % similar 3-Undecanone2216-87-765 % similar 3-Nonanone925-78-065 % similar 3-Decanone928-80-365 % similar

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

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