Basic information
- CAS
51717-65-8- Standard SMILES
O=C1CCCCCCC1C1SCCS1- InChIKey
DMEIANCCESJSAM-UHFFFAOYSA-N- Molecular formula
- C11H18OS2
- Average molar mass
- 230.4 g/mol
- Monoisotopic mass
- 230.07990754
Names & identifiers
- Preferred name
- Cyclooctanone, 2-(1,3-dithiolan-2-yl)-
- IUPAC
- 2-(1,3-dithiolan-2-yl)cyclooctan-1-one
Names & synonyms
Cyclooctanone, 2-(1,3-dithiolan-2-yl)-51717-65-8RefChem:10826542-(1,3-Dithiolan-2-yl)cyclooctanoneNSC 304959NSC304959NSC-304959
Database identifiers
- CAS
51717-65-8- PubChem CID
- 99995
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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