Basic information
- Standard SMILES
CC(=O)c1ccc(SCCOC2CCCCCCC2)cc1- InChIKey
HDVSEUDNSKNCAI-UHFFFAOYSA-N- Molecular formula
- C18H26O2S
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.16535124
Names & identifiers
- Preferred name
- 1-[4-[[2-(Cyclooctyloxy)ethyl]thio]phenyl]ethanone
- IUPAC
- 1-[4-(2-cyclooctyloxyethylsulfanyl)phenyl]ethanone
Names & synonyms
SCHEMBL9042095HDVSEUDNSKNCAI-UHFFFAOYSA-N1-[4-[[2-(cyclooctyloxy)ethyl]thio]phenyl]ethanone
Database identifiers
- PubChem CID
- 19004478
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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