5-Isobutyl-5-methyloxazolidin-2-one
Basic information
- CAS
649568-32-1- Standard SMILES
CC(C)CC1(C)CNC(=O)O1- InChIKey
LUYBIYVSLQLFGK-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- 5-Isobutyl-5-methyloxazolidin-2-one
- IUPAC
- 5-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
- English name
- 2-Oxazolidinone,5-isobutyl-5-methyl-(5CI)
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
5-Isobutyl-5-methyloxazolidin-2-one649568-32-1SCHEMBL17037488AKOS014925035DB-2821432-OXAZOLIDINONE, 5-ISOBUTYL-5-METHYL-2-Oxazolidinone,5-isobutyl-5-methyl-(5CI)2-Oxazolidinone, 5-methyl-5-(2-methylpropyl)-
Database identifiers
- CAS
649568-32-1- PubChem CID
- 65586416
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 294.6 · 294.6±7.0 °C(Predicted)
- Density
- 0.972 · 0.972±0.06 g/cm3(Predicted)
- pka
- 12.86 · 12.86±0.40(Predicted)
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Compound notes
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