Basic information
- Standard SMILES
CCOC(C#CC(=O)C1CC1)OCC- InChIKey
NDCCYOLWFNPISN-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopropyl-4,4-diethoxy-2-butyn-1-one
- IUPAC
- 1-cyclopropyl-4,4-diethoxybut-2-yn-1-one
Names & synonyms
1-Cyclopropyl-4,4-diethoxy-2-butyn-1-one863672-50-8SCHEMBL5049024NDCCYOLWFNPISN-UHFFFAOYSA-NMFCD20484922Cyclopropyl-4,4-diethoxy-but-2-yn-1-one1-Cyclopropyl-4,4-diethoxy-but-2-yn-1-one
Database identifiers
- PubChem CID
- 69293284
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
3 records
Compound notes
Loading…