Basic information
- Standard SMILES
COC(=O)C(C(=O)OC)c1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
CPFOCYUUGBKDLJ-UHFFFAOYSA-N- Molecular formula
- C16H20O6
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.12598835
Names & identifiers
- Preferred name
- Dimethyl [4-(tert-butoxycarbonyl)phenyl]malonate
- IUPAC
- dimethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanedioate
Names & synonyms
dimethyl [4-(tert-butoxycarbonyl)phenyl]malonateSCHEMBL1754323CPFOCYUUGBKDLJ-UHFFFAOYSA-N918628-81-6DB-124638
Database identifiers
- PubChem CID
- 57541233
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
8 records
Compound notes
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