Basic information
- Standard SMILES
COC(=O)C(CCCCCCCBr)C(=O)OC(C)(C)C- InChIKey
FOTZBRYGOFYCQA-UHFFFAOYSA-N- Molecular formula
- C15H27BrO4
- Average molar mass
- 351.28 g/mol
Names & identifiers
- Preferred name
- t-Butyl methyl 7-bromoheptylmalonate
- IUPAC
- 3-O-tert-butyl 1-O-methyl 2-(7-bromoheptyl)propanedioate
Names & synonyms
SCHEMBL7386063FOTZBRYGOFYCQA-UHFFFAOYSA-Nt-butyl methyl 7-bromoheptylmalonate
Database identifiers
- PubChem CID
- 19930816
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Related reactions
6 records
Compound notes
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