3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)
Basic information
- CAS
2969-16-6- Standard SMILES
CC(C)C(=O)OC1=C(OC(=O)C(C)C)C(=O)C(OC(=O)C(C)C)=C(OC(=O)C(C)C)C1=O- InChIKey
YJTMPPLOGFETMM-UHFFFAOYSA-N- Molecular formula
- C22H28O10
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.16824709
Names & identifiers
- Preferred name
- 3,6-Dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)
- IUPAC
- [2,4,5-tris(2-methylpropanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylpropanoate
Names & synonyms
2969-16-6NSC918703,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)DTXSID20293755NSC-91870
Database identifiers
- CAS
2969-16-6- PubChem CID
- 260522
- DTXSID
DTXSID20293755
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 758
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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