(2S,3R)-2-ethyl-2-methyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane
Basic information
- CAS
798553-73-8- Standard SMILES
C#C/C(=C\[C@H]1O[C@@]1(C)CC)c1ccccc1- InChIKey
KHPJDTYQNOAWHY-BOXZDTQESA-N- Molecular formula
- C15H16O
- Average molar mass
- 212.29 g/mol
Names & identifiers
- Preferred name
- (2S,3R)-2-ethyl-2-methyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane
- IUPAC
- (2S,3R)-2-ethyl-2-methyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane
- English name
- Oxirane, 2-ethyl-2-methyl-3-[(1E)-2-phenyl-1-buten-3-ynyl]-, (2R,3S)-rel- (9CI)
- Molecular formula
- C15H16O
- Molecular weight
- 212.29
Names & synonyms
Oxirane, 2-ethyl-2-methyl-3-[(1E)-2-phenyl-1-buten-3-ynyl]-, (2R,3S)-rel- (9CI)
Database identifiers
- CAS
798553-73-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 325.523 · 325.523±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.069 · 1.069±0.06 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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