Basic information
- Standard SMILES
CCCCCC1COC(c2ccc(C#N)cc2)OC1C- InChIKey
WUZOPZMNDXNISD-UHFFFAOYSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
Names & identifiers
- Preferred name
- 2-p-Cyanophenyl-5-n-pentyl-4-methyl-1,3-dioxane
- IUPAC
- 4-(4-methyl-5-pentyl-1,3-dioxan-2-yl)benzonitrile
Names & synonyms
SCHEMBL10610129WUZOPZMNDXNISD-UHFFFAOYSA-N2-p-cyanophenyl-5-n-pentyl-4-methyl-1,3-dioxane
Database identifiers
- PubChem CID
- 20150974
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
2 records
Compound notes
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