10,10-Diethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Basic information
- CAS
4387-10-4- Standard SMILES
CCOC1(OCC)C2C=CC1C1C(=O)OC(=O)C12- InChIKey
UALREHFBNSDLSV-UHFFFAOYSA-N- Molecular formula
- C13H16O5
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.09977361
Names & identifiers
- Preferred name
- 10,10-Diethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- IUPAC
- 10,10-diethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
NSC1241114387-10-4DTXSID70329472NSC-1241118,8-Diethoxy-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
Database identifiers
- CAS
4387-10-4- PubChem CID
- 420501
- DTXSID
DTXSID70329472
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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