Basic information
- CAS
312521-39-4- Standard SMILES
C/C=C/[C@@H](O)CNC(=O)OC(C)(C)C- InChIKey
PPLRDQISQJXENE-HQZHTGGTSA-N- Molecular formula
- C10H19NO3
- Average molar mass
- 201.26 g/mol
Names & identifiers
- Preferred name
- [(R,E)-2-Hydroxy-3-pentenyl]carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(E,2R)-2-hydroxypent-3-enyl]carbamate
- English name
- Carbamic acid, [(2R,3E)-2-hydroxy-3-pentenyl]-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C10H19NO3
- Molecular weight
- 201.26
Names & synonyms
312521-39-4[(R,E)-2-Hydroxy-3-pentenyl]carbamic acid tert-butyl esterCarbamic acid, [(2R,3E)-2-hydroxy-3-pentenyl]-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
312521-39-4- Nikkaji
- J1.484.368J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 317.2 · 317.2±35.0 °C(Predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.46(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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