3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
69037-94-1- Standard SMILES
CCCCCCCCCCCCSC1=C(C)C(=O)C=C(OC)C1=O- InChIKey
UERUYOKXRRXIFD-UHFFFAOYSA-N- Molecular formula
- C20H32O3S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.20721605
Names & identifiers
- Preferred name
- 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 3-dodecylsulfanyl-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
69037-94-1NSC285693DTXSID703145653-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dioneNSC-2856932,4-dione, 3-(dodecylthio)-5-methoxy-2-methyl-
Database identifiers
- CAS
69037-94-1- PubChem CID
- 323653
- DTXSID
DTXSID70314565
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…