1,7-Diethyl-8,9-diphenyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-4,10-dione
Basic information
- CAS
56406-97-4- Standard SMILES
CCC12C(=O)C(CC)(C(c3ccccc3)=C1c1ccccc1)C1OC(=O)OC12- InChIKey
MXJSHZRMFCALED-UHFFFAOYSA-N- Molecular formula
- C24H22O4
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.15180918
Names & identifiers
- Preferred name
- 1,7-Diethyl-8,9-diphenyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-4,10-dione
- IUPAC
- 1,7-diethyl-8,9-diphenyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-4,10-dione
Names & synonyms
NSC32325656406-97-4DTXSID30317971NSC-3232564,7-Diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-2H-4,7-methano-1,3-benzodioxole-2,8-dione
Database identifiers
- CAS
56406-97-4- PubChem CID
- 331397
- DTXSID
DTXSID30317971
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 656
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Compound notes
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