1-[(1S,2S)-2-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]ethanone
Basic information
- CAS
170303-25-0- Standard SMILES
CC(=O)[C@H]1C[C@@H]1[C@@H](O)C(C)C- InChIKey
ONFHLYCNJUANMT-VGMNWLOBSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
Names & identifiers
- Preferred name
- 1-[(1S,2S)-2-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]ethanone
- IUPAC
- 1-[(1S,2S)-2-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]ethanone
- English name
- Ethanone, 1-[2-(1-hydroxy-2-methylpropyl)cyclopropyl]-, [1alpha,2beta(R*)]- (9CI)
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
Ethanone, 1-[2-(1-hydroxy-2-methylpropyl)cyclopropyl]-, [1α,2β(R*)]- (9CI)Ethanone, 1-[2-(1-hydroxy-2-methylpropyl)cyclopropyl]-, [1alpha,2beta(R*)]- (9CI)
Database identifiers
- CAS
170303-25-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 236.775 · 236.775±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.037 · 15.037±0.20(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…