chempirical

3-Penten-2-one

C5H8OCAS 625-33-284.12 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.8614 g/mL (at 20 °C)
Boiling point
122.5 °C
logP
1.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
625-33-2
SMILES
CC=CC(C)=O
InChIKey
LABTWGUMFABVFG-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Methyl propenyl ketone
  • Ethylideneacetone
  • 2-Oxo-3-pentene
  • Methyl 1-propenyl ketone
  • 2-Penten-4-one
  • NSC 61468

Work with 3-Penten-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

6-Methylhepta-3,5-dien-2-one1604-28-048 % similar 4-Methoxy-3-buten-2-one4652-27-148 % similar 5-Methyl-3-hexen-2-one5166-53-048 % similar Methylglyoxal78-98-845 % similar 3-Hepten-2-one1119-44-444 % similar Methyl vinyl ketone78-94-443 % similar 2-Butenoyl chloride10487-71-541 % similar Crotonic acid107-93-741 % similar

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

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia