Basic information
- CAS
93250-97-6- Standard SMILES
COC(=O)C1(Cc2ccccc2)COC(C(C)(C)C)N1C=O- InChIKey
ADKXLUKJSWRKDS-UHFFFAOYSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Names & identifiers
- Preferred name
- Methyl 4-benzyl-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
- IUPAC
- methyl 4-benzyl-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
- English name
- Methyl 4-benzyl-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
- Molecular formula
- C17H23NO4
- Molecular weight
- 305.37
Names & synonyms
Methyl 4-benzyl-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate93250-97-6DTXSID60346552RefChem:355590DTXCID90297624ADKXLUKJSWRKDS-UHFFFAOYSA-N4-Benzyl-2-t-butyl-3-formyloxazolidine-4-carboxylic acid, methyl esterMethyl 4-benzyl-2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate #4-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-formyl-4-(phenylmethyl)-, methyl ester, (2R,4S)-
Database identifiers
- CAS
93250-97-6- PubChem CID
- 613189
- DTXSID
DTXSID60346552
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 129 · 129-130 °C(Solvent: Diethyl ether; Pentane)
- Boiling point
- 427.702 · 427.702±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.81 · -2.810±0.60(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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