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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(O)=C2C(=O)OC(C)(C)OC2=O)C1- InChIKey
QUJKNRGCZAAOJF-UHFFFAOYSA-N- Molecular formula
- C21H32N2O9
- Average molar mass
- 456.5 g/mol
Names & identifiers
- Preferred name
- Bis(1,1-Dimethylethyl) 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)(hydroxy)methyl]-1,4-piperazinedicarboxylate
- IUPAC
- ditert-butyl 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-hydroxymethyl]piperazine-1,4-dicarboxylate
Names & synonyms
SCHEMBL11346784QUJKNRGCZAAOJF-UHFFFAOYSA-NBis(1,1-Dimethylethyl) 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)(hydroxy)methyl]-1,4-piperazinedicarboxylate
Database identifiers
- PubChem CID
- 70568232
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 811
Related reactions
2 records
Compound notes
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