Dimethyl 1,3,5,7-cyclooctatetraene-1,2-dicarboxylate
Basic information
- CAS
15956-91-9- Standard SMILES
COC(=O)C1=C(C(=O)OC)/C=C\C=C/C=C\1- InChIKey
OLLLUZVYFNNOAS-UUDBPNICSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Dimethyl 1,3,5,7-cyclooctatetraene-1,2-dicarboxylate
- IUPAC
- dimethyl (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2-dicarboxylate
Names & synonyms
NSC13108015956-91-9DTXSID30419166NSC-131080dimethyl 1,3,5,7-cyclooctatetraene-1,2-dicarboxylatedimethyl cycloocta-1,3,5,7-tetraene-1,2-dicarboxylate
Database identifiers
- CAS
15956-91-9- PubChem CID
- 5382015
- DTXSID
DTXSID30419166- Nikkaji
- J264.238G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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