Basic information
- Standard SMILES
CC(C)CCOC(=O)CC#N- InChIKey
CERSVDLOCLTLAN-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
Names & identifiers
- Preferred name
- Isoamyl Cyanoacetate
- IUPAC
- 3-methylbutyl 2-cyanoacetate
Names & synonyms
isopentyl 2-cyanoacetateIsoamyl CyanoacetateSCHEMBL547989CERSVDLOCLTLAN-UHFFFAOYSA-N60180-49-6SY491834
Database identifiers
- PubChem CID
- 21714940
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Related reactions
1 records
Compound notes
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