(6R)-3-acetyl-4-ethyl-6-methyl-1-oxa-4lambda4-thiacyclohex-3-en-2-one
Basic information
- CAS
71254-57-4- Standard SMILES
CCS1=C(C(C)=O)C(=O)O[C@H](C)C1- InChIKey
VGZLPCCHQPNJMD-JNKNCIAKSA-N- Molecular formula
- C9H14O3S
- Average molar mass
- 202.27 g/mol
- Monoisotopic mass
- 202.06636548
Names & identifiers
- Preferred name
- (6R)-3-acetyl-4-ethyl-6-methyl-1-oxa-4lambda4-thiacyclohex-3-en-2-one
- IUPAC
- (6R)-3-acetyl-4-ethyl-6-methyl-1-oxa-4λ4-thiacyclohex-3-en-2-one
Names & synonyms
NSC34790071254-57-4DTXSID40319587NSC-347900(6R)-3-Acetyl-4-ethyl-6-methyl-5,6-dihydro-2H-1,4lambda~4~-oxathiin-2-one
Database identifiers
- CAS
71254-57-4- PubChem CID
- 335883
- DTXSID
DTXSID40319587
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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