4-Decanone

C₁₀H₂₀OCAS 624-16-8156.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₀O
Molar mass: 156.27 g/mol
Exact mass: 156.1514 Da
Density: 0.8268 g/mL (at 20 °C)
Melting point: −9 °C
Boiling point: 206.5 °C
logP: 3.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 7

Identifiers

CAS number

624-16-8

SMILES

CCCCCCC(=O)CCC

InChIKey

MKJDUHZPLQYUCB-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Propyl hexyl ketone
Hexyl propyl ketone

Work with 4-Decanone

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

4-Undecanone14476-37-0100 % similar 4-Nonanone4485-09-095 % similar 11-Heneicosanone19781-72-790 % similar Hexyl ketone462-18-090 % similar Nonyl ketone504-57-490 % similar 14-Heptacosanone542-50-790 % similar Diheptyl ketone818-23-590 % similar 5-Dodecanone19780-10-086 % similar

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

Same formula

2-Ethylhexyl vinyl ether103-44-6 Citronellol106-22-9 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7 Menthol1490-04-6 (+)-Menthol15356-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook