Basic information
- Standard SMILES
CC(=O)CCCCC(=O)OC(C)(C)C- InChIKey
JMMVPQWWMIXKSL-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- tert-Butyl 6-oxoheptanoate
- IUPAC
- tert-butyl 6-oxoheptanoate
Names & synonyms
tert-Butyl 6-oxoheptanoate116666-94-5tert-Butyl6-oxoheptanoateSCHEMBL517541JMMVPQWWMIXKSL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 13085548
- Nikkaji
- J1.215.341D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Related reactions
2 records
Compound notes
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