Basic information
- CAS
6413-58-7- Standard SMILES
CCCC1OC(c2ccc(Cl)cc2)OCC1CC- InChIKey
GLRCLHQXANUGSJ-UHFFFAOYSA-N- Molecular formula
- C15H21ClO2
- Average molar mass
- 268.78 g/mol
- Monoisotopic mass
- 268.1230076
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-5-ethyl-4-propyl-1,3-dioxane
- IUPAC
- 2-(4-chlorophenyl)-5-ethyl-4-propyl-1,3-dioxane
Names & synonyms
6413-58-72-(4-chlorophenyl)-5-ethyl-4-propyl-1,3-dioxaneNSC7161DTXSID70278411NSC-7161
Database identifiers
- CAS
6413-58-7- PubChem CID
- 222015
- DTXSID
DTXSID70278411
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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