1-[(2R)-2-[(1S)-1-hydroxy-2-methylpropyl]oxiran-2-yl]ethanone
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Basic information
- CAS
130973-46-5- Standard SMILES
CC(=O)[C@]1([C@@H](O)C(C)C)CO1- InChIKey
IGPBAIKOLMZENY-YUMQZZPRSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
Names & identifiers
- Preferred name
- 1-[(2R)-2-[(1S)-1-hydroxy-2-methylpropyl]oxiran-2-yl]ethanone
- IUPAC
- 1-[(2R)-2-[(1S)-1-hydroxy-2-methylpropyl]oxiran-2-yl]ethanone
- English name
- Ethanone, 1-[2-(1-hydroxy-2-methylpropyl)oxiranyl]-, (R*,S*)- (9CI)
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
130973-46-5Ethanone, 1-[2-(1-hydroxy-2-methylpropyl)oxiranyl]-, (R*,S*)- (9CI)
Database identifiers
- CAS
130973-46-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 245.7 · 245.7±25.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 14.37 · 14.37±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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