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Basic information
- CAS
60575-30-6- Standard SMILES
CC12CCC(C(C3SCCS3)C1=O)C2(C)C- InChIKey
QAEFLEVKHLPRGB-UHFFFAOYSA-N- Molecular formula
- C13H20OS2
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.0955576
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)heptan-2-one, 3-(1,3-dithiolan-2-yl)-1,7,7-trimethyl-
- IUPAC
- 3-(1,3-dithiolan-2-yl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Names & synonyms
60575-30-6BICYCLO(2.2.1)HEPTAN-2-ONE, 3-(1,3-DITHIOLAN-2-YL)-1,7,7-TRIMETHYL-RefChem:3292253-(1,3-Dithiolan-2-yl)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one3-(1,3-DITHIOLAN-2-YL)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONEDTXSID10976020
Database identifiers
- CAS
60575-30-6- PubChem CID
- 43363
- DTXSID
DTXSID10976020
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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