Basic information
- Standard SMILES
CC(=O)O[C@H](C)CCCC(=O)OC(C)(C)C- InChIKey
QFRYQYPKQROXKV-SECBINFHSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl (5R)-5-(acetoxy)hexanoate
- IUPAC
- tert-butyl (5R)-5-acetyloxyhexanoate
Names & synonyms
SCHEMBL399304QFRYQYPKQROXKV-SECBINFHSA-Ntert-butyl (5R)-5-(acetoxy)hexanoate
Database identifiers
- PubChem CID
- 11117869
- Nikkaji
- J1.732.043B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
1 records
Compound notes
Loading…