Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCSC1CCCC(=O)C1- InChIKey
YUCMIZGJRLCLNR-UHFFFAOYSA-N- Molecular formula
- C22H42OS
- Average molar mass
- 354.6 g/mol
Names & identifiers
- Preferred name
- 3-Hexadecylthiocyclohexanone
- IUPAC
- 3-hexadecylsulfanylcyclohexan-1-one
Names & synonyms
3-hexadecylthiocyclohexanone3-hexadecylthiocyclo-hexanoneSCHEMBL496821YUCMIZGJRLCLNR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21873191
- Nikkaji
- J2.777.125D
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 290
Related reactions
9 records
Compound notes
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