2-(4-Chlorophenyl)-5,5-dimethyl-1,3-dioxane
Basic information
- CAS
6283-10-9- Standard SMILES
CC1(C)COC(c2ccc(Cl)cc2)OC1- InChIKey
LYFASGHSQCWAFH-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-5,5-dimethyl-1,3-dioxane
- IUPAC
- 2-(4-chlorophenyl)-5,5-dimethyl-1,3-dioxane
Names & synonyms
2-(4-chlorophenyl)-5,5-dimethyl-1,3-dioxane6283-10-9DTXSID20278401RefChem:252218DTXCID20229559NSC7136NSC-7136
Database identifiers
- CAS
6283-10-9- PubChem CID
- 221992
- DTXSID
DTXSID20278401- Nikkaji
- J2.164.438B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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