Basic information
- Standard SMILES
CC(C)CCCC(C)Oc1ccc(C#N)cc1- InChIKey
CCVKOSVVOCKNLS-UHFFFAOYSA-N- Molecular formula
- C15H21NO
- Average molar mass
- 231.33 g/mol
- Monoisotopic mass
- 231.16231429
Names & identifiers
- Preferred name
- p-[(1,5-Dimethyl-hexyl)-oxy]-benzonitrile
- IUPAC
- 4-(6-methylheptan-2-yloxy)benzonitrile
Names & synonyms
SCHEMBL11760865CCVKOSVVOCKNLS-UHFFFAOYSA-Np-[(1,5-dimethyl-hexyl)-oxy]-benzonitrile
Database identifiers
- PubChem CID
- 21487583
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Related reactions
5 records
Compound notes
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