7,7-Dimethyl-10-(phenylsulfanyl)dec-9-EN-5-one
Basic information
- CAS
79681-41-7- Standard SMILES
CCCCC(=O)CC(C)(C)CC=CSc1ccccc1- InChIKey
PWRPPTPHUADEGE-UHFFFAOYSA-N- Molecular formula
- C18H26OS
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.17043662
Names & identifiers
- Preferred name
- 7,7-Dimethyl-10-(phenylsulfanyl)dec-9-EN-5-one
- IUPAC
- 7,7-dimethyl-10-phenylsulfanyldec-9-en-5-one
Names & synonyms
79681-41-77,7-DIMETHYL-10-(PHENYLSULFANYL)DEC-9-EN-5-ONEDTXSID00823756
Database identifiers
- CAS
79681-41-7- PubChem CID
- 71402804
- DTXSID
DTXSID00823756
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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