chempirical

5-Hexen-2-one

C6H10OCAS 109-49-998.14 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
0.856 g/mL (at 20 °C)
Boiling point
129.5 °C
logP
1.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
109-49-9
SMILES
C=CCCC(C)=O
InChIKey
RNDVGJZUHCKENF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3

Weigh it out

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

Names and synonyms

6 names
  • Allylacetone
  • 1-Hexen-5-one
  • 5-Hexen-1-one
  • 5-Oxo-1-hexene
  • NSC 6973
  • 3-Butenyl methyl ketone

Work with 5-Hexen-2-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

Sulcatone110-93-054 % similar Hexane-2,5-dione110-13-452 % similar 4-Pentenoic acid591-80-048 % similar Farnesylacetone1117-52-845 % similar Ethyl 4-pentenoate1968-40-745 % similar Teprenone6809-52-545 % similar 6,10-Dimethyl-5,9-undecadien-2-one689-67-845 % similar 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one762-29-845 % 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 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5 (2R)-2-(3-Buten-1-yl)oxirane137688-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook