5-Ethyl-2-[4-(propan-2-yl)phenyl]-4-propyl-1,3-dioxane
Basic information
- CAS
5458-42-4- Standard SMILES
CCCC1OC(c2ccc(C(C)C)cc2)OCC1CC- InChIKey
BKNVHKFSURYFHJ-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Names & identifiers
- Preferred name
- 5-Ethyl-2-[4-(propan-2-yl)phenyl]-4-propyl-1,3-dioxane
- IUPAC
- 5-ethyl-2-(4-propan-2-ylphenyl)-4-propyl-1,3-dioxane
Names & synonyms
5458-42-45-ethyl-2-[4-(propan-2-yl)phenyl]-4-propyl-1,3-dioxaneNSC23558DTXSID80281956NSC-23558
Database identifiers
- CAS
5458-42-4- PubChem CID
- 229718
- DTXSID
DTXSID80281956
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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