3-Oxo-1,8-dioxa-4,11-diaza-spiro[5.6]dodecane-11-carboxylic acid tert-butyl ester
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Basic information
- CAS
1251003-86-7- Standard SMILES
CC(C)(C)OC(=O)N1CCOCC2(CNC(=O)CO2)C1- InChIKey
HDSIPIVRRSTJNX-UHFFFAOYSA-N- Molecular formula
- C13H22N2O5
- Average molar mass
- 286.32 g/mol
Names & identifiers
- Preferred name
- 3-Oxo-1,8-dioxa-4,11-diaza-spiro[5.6]dodecane-11-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxylate
- English name
- 3-Oxo-1,8-dioxa-4,11-diaza-spiro[5.6]dodecane-11-carboxylicacidtert-butylester
- Molecular formula
- C13H22N2O5
- Molecular weight
- 286.32
Names & synonyms
1251003-86-73-Oxo-1,8-dioxa-4,11-diaza-spiro[5.6]dodecane-11-carboxylic acid tert-butyl estertert-butyl 3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxylate1,8-Dioxa-4,11-diazaspiro[5.6]dodecane-11-carboxylic acid, 3-oxo-, 1,1-dimethylethyl esterTERT-BUTYL 3-OXO-1,8-DIOXA-4,11-DIAZASPIRO[5.6]DODECANE-11-CARBOXYLATEMFCD18791693WS-01830CS-0338275D852653-Oxo-1,8-dioxa-4,11-diaZa-spiro[5.6]dodecane-11-carboxylic acid t-butyl ester3-Oxo-1,8-dioxa-4,11-diaza-spiro[5.6]dodecane-11-carboxylicacidtert-butylester3-Oxo-1,8-Dioxa-4,11-Diaza-Spiro[5.6]Dodecane-11-Carboxylic Acid Tert-Butyl Ester(WX100485)
Database identifiers
- CAS
1251003-86-7
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 480.8 · 480.8±45.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 14.55 · 14.55±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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