chempirical

4-Hexen-3-one

C6H10OCAS 2497-21-498.14 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.8838 g/mL (at 14 °C)
Boiling point
138.5 °C
logP
1.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
2497-21-4
SMILES
CC=CC(=O)CC
InChIKey
FEWIGMWODIRUJM-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 2-Hexen-4-one
  • Ethyl 1-propenyl ketone
  • NSC 245483

Work with 4-Hexen-3-one

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

2-Octen-4-one4643-27-054 % similar 1-Penten-3-one1629-58-950 % similar 2-Butenoyl chloride10487-71-542 % similar trans-Crotonyl chloride625-35-442 % similar 1-(4-Methoxyphenyl)-1-penten-3-one104-27-840 % similar Ethyl trans-crotonate623-70-139 % similar 3-Penten-2-one625-33-238 % similar 5-Methyl-2-hepten-4-one81925-81-737 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook