Basic information
- Standard SMILES
CC(C)CC(C#N)CC(=O)[O-]- InChIKey
MGWZYUMZVZMKTN-UHFFFAOYSA-M- Molecular formula
- C8H12NO2-
- Average molar mass
- 154.19 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-5-methylhexanoate
- IUPAC
- 3-cyano-5-methylhexanoate
Database identifiers
- PubChem CID
- 20734819
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 172
Related reactions
2 records
Compound notes
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