Basic information
- Standard SMILES
CCCC(C(C)C)C(C#N)CC(=O)OC(C)(C)C- InChIKey
VSWKGMAXGSTUMG-UHFFFAOYSA-N- Molecular formula
- C15H27NO2
- Average molar mass
- 253.38 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-4-isopropyl-heptanoic acid t-butyl ester
- IUPAC
- tert-butyl 3-cyano-4-propan-2-ylheptanoate
Names & synonyms
SCHEMBL3118529VSWKGMAXGSTUMG-UHFFFAOYSA-N3-cyano-4-isopropyl-heptanoic acid t-butyl ester
Database identifiers
- PubChem CID
- 54409153
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
14 records
Compound notes
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