Basic information
- CAS
923038-90-8- Standard SMILES
CCCCCCCCC(=O)CC(C)SCC- InChIKey
HQJMRHMCFBUFGD-UHFFFAOYSA-N- Molecular formula
- C14H28OS
- Average molar mass
- 244.44 g/mol
- Monoisotopic mass
- 244.18608669
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)dodecan-4-one
- IUPAC
- 2-ethylsulfanyldodecan-4-one
Names & synonyms
923038-90-82-(ETHYLSULFANYL)DODECAN-4-ONEDTXSID80854407
Database identifiers
- CAS
923038-90-8- PubChem CID
- 71445895
- DTXSID
DTXSID80854407
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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