(1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one
Impurity reference standard
- CAS number
- 43119-28-4
- InChIKey
- RYBPGUMSFWGGLP-WDSKDSINSA-N
- Molecular formula
- C7H8O2
- Molecular weight
- 124.14
- Exact mass
- 124.0524 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one
(1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one is supplied as an analytical reference standard. It is registered under CAS number 43119-28-4.
The compound is characterised by its molecular formula C7H8O2 and a molecular weight of 124.14, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 124.0524 Da, a calculated LogP of 0.88, a topological polar surface area of 26.30 Ų. It presents 0 hydrogen-bond donors and 2 acceptors. The structure carries 2 defined stereocentres, which is relevant wherever a stereochemically defined standard is required. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow. Recommended storage: 2℃ ~ 8℃.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 0.88
- Topological polar surface area
- 26.30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Rings
- 2
- Defined stereocentres
- 2
- Elemental composition
- C 67.73% · H 6.50% · O 25.78%
Frequently asked questions
What purity does (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one ship at?
(1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one uniquely identified?
The InChIKey RYBPGUMSFWGGLP-WDSKDSINSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should (1S,5R)-2-Oxabicyclo[3.3.0]oct-6-en-3-one be stored?
Recommended storage: 2℃ ~ 8℃.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.