6,8-Dioxabicyclo(3.2.1)octan-7-one
Basic information
- CAS
5257-20-5- Standard SMILES
O=C1OC2CCCC1O2- InChIKey
FDTQYEHORIQWRC-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- 6,8-Dioxabicyclo(3.2.1)octan-7-one
- IUPAC
- 6,8-dioxabicyclo[3.2.1]octan-7-one
- English name
- 7,8-dioxabicyclo[3.2.1]octan-6-one
- Molecular formula
- C6H8O3
- Molecular weight
- 128.12592
Names & synonyms
6,8-Dioxabicyclo[3.2.1]octan-7-one6-Hydroxytetrahydropyran-2-carboxylic acid lactoneEINECS 226-061-5NSC 556667,8-dioxabicyclo[3.2.1]octan-6-oneBRN 01159286,8-DIOXABICYCLO(3.2.1)OCTAN-7-ONE7,8-Dioxabicyclo(3.2.1)octan-6-onePyran-2-carboxylic acid, tetrahydro-6-hydroxy-, gamma-lactone2H-Pyran-2-carboxylic acid, tetrahydro-6-hydroxy-, gamma-lactoneDTXSID409669995-19-04-00085 (Beilstein Handbook Reference)
Show more names
RefChem:103908DTXCID70931150226-061-55257-20-5NSC55666SCHEMBL6230684WLN: T56 A AO COVTJFDTQYEHORIQWRC-UHFFFAOYSA-N
Database identifiers
- CAS
5257-20-5- PubChem CID
- 21328
- DTXSID
DTXSID40966999- EC Number
- 226-061-5
- Nikkaji
- J42.106E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…