2-Pentanone
Properties
- Molecular formula
- C5H10O
- Molar mass
- 86.13 g/mol
- Exact mass
- 86.0732 Da
- Density
- 0.809 g/mL (at 20 °C)
- Melting point
- −78 °C
- Boiling point
- 101.7 °C
- logP
- 1.38Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
107-87-9SMILES
CCCC(C)=OInChIKey
XNLICIUVMPYHGG-UHFFFAOYSA-NInChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Methyl propyl ketone
- Methyl n-propyl ketone
- Ethylacetone
- Propyl methyl ketone
- 4-Methyl-2-butanone
- NSC 5350
Work with 2-Pentanone
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-Hexanone591-78-670 % similar
Hexane-2,5-dione110-13-465 % similar
2-Octanone111-13-764 % similar
2-Undecanone112-12-964 % similar
2-Tetradecanone2345-27-964 % similar
2-Pentadecanone2345-28-064 % similar
2-Tridecanone593-08-864 % similar
2-Dodecanone6175-49-164 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds