5-Ethoxy-2,2-dimethylpentanenitrile
Basic information
- CAS
90949-84-1- Standard SMILES
CCOCCCC(C)(C)C#N- InChIKey
CUQSTQIFQGPQSF-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 5-Ethoxy-2,2-dimethylpentanenitrile
- IUPAC
- 5-ethoxy-2,2-dimethylpentanenitrile
Names & synonyms
90949-84-15-ethoxy-2,2-dimethylpentanenitrileNSC99224NCIOpen2_002083DTXSID50295000NSC-99224AKOS014592399
Database identifiers
- CAS
90949-84-1- PubChem CID
- 264227
- DTXSID
DTXSID50295000
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
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Compound notes
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