tert-butyl (3S,7R,8S)-5-oxo-3-hydroxy-4,4,8-trimethyl-7-(2,2,2-trichloroethoxycarbonyloxy)-10-undecenoate
Basic information
- Standard SMILES
C=CC[C@H](C)[C@@H](CC(=O)C(C)(C)[C@@H](O)CC(=O)OC(C)(C)C)OC(=O)OCC(Cl)(Cl)Cl- InChIKey
NZNZEWXNHGHEQH-LZWOXQAQSA-N- Molecular formula
- C21H33Cl3O7
- Average molar mass
- 503.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3S,7R,8S)-5-oxo-3-hydroxy-4,4,8-trimethyl-7-(2,2,2-trichloroethoxycarbonyloxy)-10-undecenoate
- IUPAC
- tert-butyl (3S,7R,8S)-3-hydroxy-4,4,8-trimethyl-5-oxo-7-(2,2,2-trichloroethoxycarbonyloxy)undec-10-enoate
Names & synonyms
SCHEMBL14587158NZNZEWXNHGHEQH-LZWOXQAQSA-Ntert-butyl (3S,7R,8S)-5-oxo-3-hydroxy-4,4,8-trimethyl-7-(2,2,2-trichloroethoxy-carbonyloxy)-10-undecenoatetert-butyl (3S,7R,8S)-5-oxo-3-hydroxy-4,4,8-trimethyl-7-(2,2,2-trichloroethoxycarbonyloxy)-10-undecenoate
Database identifiers
- PubChem CID
- 60003397
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
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Related reactions
8 records
Compound notes
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