5,5-Dimethyl-2-(naphthalen-2-YL)-1,3-dioxane
Basic information
- CAS
31053-74-4- Standard SMILES
CC1(C)COC(c2ccc3ccccc3c2)OC1- InChIKey
VNCZFSRBHSFJED-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-(naphthalen-2-YL)-1,3-dioxane
- IUPAC
- 5,5-dimethyl-2-naphthalen-2-yl-1,3-dioxane
Names & synonyms
NSC16889631053-74-45,5-DIMETHYL-2-(NAPHTHALEN-2-YL)-1,3-DIOXANEDTXSID30305050NSC-168896
Database identifiers
- CAS
31053-74-4- PubChem CID
- 297643
- DTXSID
DTXSID30305050- Nikkaji
- J3.039.060A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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