Basic information
- Standard SMILES
COc1ccc(C(=O)CCCCCCCCCCC#N)cc1OC- InChIKey
ISPIOVDYRWOXFE-UHFFFAOYSA-N- Molecular formula
- C20H29NO3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.21474379
Names & identifiers
- Preferred name
- 4-(11-Cyanoundecanoyl)-1,2-dimethoxybenzene
- IUPAC
- 12-(3,4-dimethoxyphenyl)-12-oxododecanenitrile
Names & synonyms
SCHEMBL9044934ISPIOVDYRWOXFE-UHFFFAOYSA-N4-(11-cyanoundecanoyl)-1,2-dimethoxybenzene
Database identifiers
- PubChem CID
- 19745239
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 388
Related reactions
2 records
Compound notes
Loading…