Tetrahydro-4H-pyran-4-one
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 1.098 g/mL (at 20 °C)
- Boiling point
- 166.5 °C
- logP
- 0.37Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor95.1% of notifiers
- H315 Causes skin irritation13.1% of notifiers
Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
29943-42-8SMILES
O=C1CCOCC1InChIKey
JMJRYTGVHCAYCT-UHFFFAOYSA-NInChI
InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 4H-Pyran-4-one, tetrahydro-
- Tetrahydro-4-pyrone
- 2,3,5,6-Tetrahydro-4-pyranone
- Tetrahydro-γ-pyrone
- 4-Oxotetrahydropyran
- 4-Oxacyclohexanone
- 4-Tetrahydropyranone
- 2,3,5,6-Tetrahydropyran-4-one
- 3,5,6-Trihydro-2H-pyran-4-one
- Tetrahydro-2H-pyran-4-one
- Dihydro-2H-pyran-4(3H)-one
- 3,4,5,6-Tetrahydro-4H-pyran-4-one
- Oxan-4-one
Work with Tetrahydro-4H-pyran-4-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
3-Oxotetrahydrofuran22929-52-867 % similar
Cyclobutanone1191-95-356 % similar
1,4-Cyclohexanedione637-88-753 % similar
Cyclopentanone120-92-347 % similar
2H-Pyran-3(4H)-one, dihydro-23462-75-145 % similar
Cyclohexanone108-94-144 % similar
Cyclodecanone1502-06-344 % similar
Cycloheptanone502-42-144 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.