Basic information
- CAS
138224-74-5- Standard SMILES
CC(C)CC(CC(C)C)Oc1cccc(C#N)c1C#N- InChIKey
XNFIFMHRJINAHH-UHFFFAOYSA-N- Molecular formula
- C17H22N2O
- Average molar mass
- 270.37 g/mol
- Monoisotopic mass
- 270.17321333
Names & identifiers
- Preferred name
- 3-[(2,6-Dimethylheptan-4-yl)oxy]benzene-1,2-dicarbonitrile
- IUPAC
- 3-(2,6-dimethylheptan-4-yloxy)benzene-1,2-dicarbonitrile
Names & synonyms
138224-74-5DTXSID407688193-[(2,6-Dimethylheptan-4-yl)oxy]benzene-1,2-dicarbonitrile
Database identifiers
- CAS
138224-74-5- PubChem CID
- 71342003
- DTXSID
DTXSID40768819
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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