2-(4-Methoxyphenyl)-2-methylpentanenitrile
Basic information
- CAS
5424-57-7- Standard SMILES
CCCC(C)(C#N)c1ccc(OC)cc1- InChIKey
YORVPRRRMBFOER-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-2-methylpentanenitrile
- IUPAC
- 2-(4-methoxyphenyl)-2-methylpentanenitrile
Names & synonyms
5424-57-72-(4-methoxyphenyl)-2-methylpentanenitrileNSC12238DTXSID00279315NSC-12238
Database identifiers
- CAS
5424-57-7- PubChem CID
- 224025
- DTXSID
DTXSID00279315
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
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Compound notes
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