2-Hydroxy-2,5-dimethylhexanenitrile
Basic information
- CAS
110792-88-6- Standard SMILES
CC(C)CCC(C)(O)C#N- InChIKey
PLCIHCBMYXZOLC-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- 2-Hydroxy-2,5-dimethylhexanenitrile
- IUPAC
- 2-hydroxy-2,5-dimethylhexanenitrile
Names & synonyms
2-Hydroxy-2,5-dimethylhexanenitrile110792-88-6DTXSID40546573RefChem:261598DTXCID204973572-cyano-5-methyl-2-hexanolSCHEMBL6052811
Database identifiers
- CAS
110792-88-6- PubChem CID
- 13680683
- DTXSID
DTXSID40546573
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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