Tetrahydro-4H-pyran-4-one
A ketone, C5H8O2, 100.117 g/mol.
Identifiers
- Molecular formula
- C₅H₈O₂
- Molecular weight
- 100.117 g/mol
- Exact mass
- 100.052429 g/mol
- IUPAC name
- oxan-4-one
- O=C1CCOCC1
- InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2
- JMJRYTGVHCAYCT-UHFFFAOYSA-N
Calculated properties
- Molecular weight
- 100.12 g/mol
- Exact mass
- 100.052429494 Da
- XLogP3
- -0.5
- Polar surface area
- 26.3 Ų
- Complexity
- 70
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- 0.3659
- Topological polar surface area
- 26.3 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- Molar refractivity
- 25.06 cm³/mol
- Fraction sp³ carbons
- 0.8
- QED drug-likeness
- 0.4392
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 7
- Total atoms, hydrogen included
- 15
- Rings
- 1
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Ketone
Ether
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is oxan-4-one.
The sources also call it 4-Oxotetrahydropyran, 4H-Pyran-4-one, tetrahydro-, Tetrahydro-4-pyrone, 4-Oxacyclohexanone, Tetrahydro-.gamma.-pyrone, EINECS 249-967-2, 2,3,5,6-Tetrahydro-4-pyranone, DTXSID70184048, Tetrahydro-gamma-pyrone, RefChem:188630, DTXCID80106539.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Tetrahydro-4H-pyran-4-one. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,6-Dioxaspiro[2.5]octane-2-carbonitrile
formed as a product
C₇H₉NO₂, 139.154 g/mol.
1,3-Dibromobenzene
used as a reactant
C₆H₄Br₂, 235.906 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
(4-Methoxycarbonylphenyl)methyl-triphenylphosphanium
used as a reactant
C₂₇H₂₄O₂P+, 411.461 g/mol.
(3-Amino-1-propan-2-ylcyclopentyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
used as a reactant
C₂₀H₂₈F₃N₃O, 383.458 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under T
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C5H8O2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Tetrahydro-4H-pyran-4-one for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.