3,3,6,6-Tetramethyl-5-oxothiepan-4-yl acetate
Basic information
- CAS
21153-34-4- Standard SMILES
CC(=O)OC1C(=O)C(C)(C)CSCC1(C)C- InChIKey
LALYTNZUTAAUME-UHFFFAOYSA-N- Molecular formula
- C12H20O3S
- Average molar mass
- 244.35 g/mol
- Monoisotopic mass
- 244.11331567
Names & identifiers
- Preferred name
- 3,3,6,6-Tetramethyl-5-oxothiepan-4-yl acetate
- IUPAC
- (3,3,6,6-tetramethyl-5-oxothiepan-4-yl) acetate
Names & synonyms
21153-34-43,3,6,6-tetramethyl-5-oxothiepan-4-yl acetateNSC147624DTXSID20301960NSC-147624
Database identifiers
- CAS
21153-34-4- PubChem CID
- 287569
- DTXSID
DTXSID20301960
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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