1-[(1S,2R)-2-ethynylcyclopropyl]pentan-1-one
Basic information
- CAS
400849-91-4- Standard SMILES
C#C[C@@H]1C[C@@H]1C(=O)CCCC- InChIKey
VCZDEOCWUQXLJE-BDAKNGLRSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
Names & identifiers
- Preferred name
- 1-[(1S,2R)-2-ethynylcyclopropyl]pentan-1-one
- IUPAC
- 1-[(1S,2R)-2-ethynylcyclopropyl]pentan-1-one
- English name
- 1-Pentanone, 1-[(1R,2S)-2-ethynylcyclopropyl]-, rel- (9CI)
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
1-Pentanone, 1-[(1R,2S)-2-ethynylcyclopropyl]-, rel- (9CI)
Database identifiers
- CAS
400849-91-4
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 205.439 · 205.439±29.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.948 · 0.948±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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