5,5-Dimethyl-2-(2-phenylethyl)-1,3-dioxane
Basic information
- CAS
5445-66-9- Standard SMILES
CC1(C)COC(CCc2ccccc2)OC1- InChIKey
NONXMMADFDZEHG-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-(2-phenylethyl)-1,3-dioxane
- IUPAC
- 5,5-dimethyl-2-(2-phenylethyl)-1,3-dioxane
Names & synonyms
5,5-dimethyl-2-(2-phenylethyl)-1,3-dioxane5445-66-9DTXSID80281613RefChem:298342DTXCID40232767NSC221115,5-dimethyl-2-phenethyl-1,3-dioxaneSCHEMBL7254749NSC-22111DS-005609
Database identifiers
- CAS
5445-66-9- PubChem CID
- 228928
- DTXSID
DTXSID80281613
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
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Compound notes
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