Basic information
- CAS
73806-18-5- Standard SMILES
O=C(OC/C(I)=C/I)C1C2CCC(O2)C1C(=O)OC/C(I)=C/I- InChIKey
LRYQQECYHNCOGX-UHFFFAOYSA-N- Molecular formula
- C14H14I4O5
- Average molar mass
- 769.87 g/mol
- Monoisotopic mass
- 769.702
Names & identifiers
- Preferred name
- 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, bis(2,3-diiodoallyl) ester
- IUPAC
- bis[(Z)-2,3-diiodoprop-2-enyl] 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
- English name
- 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid bis(2,3-diiodoallyl) ester
- Molecular formula
- C14H14I4O5
- Molecular weight
- 769.88
Names & synonyms
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, bis(2,3-diiodoallyl) ester73806-18-5RefChem:1074531Bis(2,3-diiodo-2-propenyl)-3,6-endoxohexahydrophthalate7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid bis(2,3-diiodoallyl) ester7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2,3-bis(2,3-diiodo-2-propen-1-yl) ester
Database identifiers
- CAS
73806-18-5- PubChem CID
- 6447331
- Nikkaji
- J59.417B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Boiling point
- 598.8 · 598.8±50.0 °C(Predicted)
- Density
- 2.569 · 2.569±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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