tert-butyl N-[(2S)-3-hydroxybut-3-en-2-yl]carbamate
Basic information
- CAS
208935-54-0- Standard SMILES
C=C(O)[C@H](C)NC(=O)OC(C)(C)C- InChIKey
LOCHLUZVUGUXMP-LURJTMIESA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[(2S)-3-hydroxybut-3-en-2-yl]carbamate
- IUPAC
- tert-butyl N-[(2S)-3-hydroxybut-3-en-2-yl]carbamate
- English name
- Carbamic acid, [(1S)-2-hydroxy-1-methyl-2-propenyl]-, 1,1-dimethylethyl ester
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
SCHEMBL15750380Carbamic acid, [(1S)-2-hydroxy-1-methyl-2-propenyl]-, 1,1-dimethylethyl esterCarbamic acid, [(1S)-2-hydroxy-1-methyl-2-propenyl]-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
208935-54-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 298.2 · 298.2±40.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 10.6 · 10.60±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…