3-Methyl-2,2-di(propan-2-yl)butanenitrile
Basic information
- CAS
55897-66-0- Standard SMILES
CC(C)C(C#N)(C(C)C)C(C)C- InChIKey
RAPUVIJLMDIPPB-UHFFFAOYSA-N- Molecular formula
- C11H21N
- Average molar mass
- 167.29 g/mol
- Monoisotopic mass
- 167.16739967
Names & identifiers
- Preferred name
- 3-Methyl-2,2-di(propan-2-yl)butanenitrile
- IUPAC
- 3-methyl-2,2-di(propan-2-yl)butanenitrile
Names & synonyms
55897-66-03-methyl-2,2-di(propan-2-yl)butanenitrile2,2-diisopropyl-3-methyl-butyronitrileNSC4627SCHEMBL8275609DTXSID10277887NSC 4627NSC-4627
Database identifiers
- CAS
55897-66-0- PubChem CID
- 221010
- DTXSID
DTXSID10277887
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
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Related reactions
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Compound notes
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