Ethyl 4-ditert-butylphosphorylbenzoate
Basic information
- CAS
5116-17-6- Standard SMILES
CCOC(=O)c1ccc(P(=O)(C(C)(C)C)C(C)(C)C)cc1- InChIKey
UCZWRLVTIFFJAA-UHFFFAOYSA-N- Molecular formula
- C17H27O3P
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16978172
Names & identifiers
- Preferred name
- Ethyl 4-ditert-butylphosphorylbenzoate
- IUPAC
- ethyl 4-ditert-butylphosphorylbenzoate
- English name
- ethyl 4-di-tert-butylphosphorylbenzoate
- Molecular formula
- C15H30N2O
- Molecular weight
- 254.41
Names & synonyms
ethyl 4-ditert-butylphosphorylbenzoate5116-17-6ZINC00301436CBMicro_012446DTXSID80355343SMSF0003441CB15665BIM-0012254.P001ETHYL 4-(DI-TERT-BUTYLPHOSPHORYL)BENZOATESR-01000196035SR-01000196035-1ethyl 4-di-tert-butylphosphorylbenzoate
Show more names
3-Piperidinecarboxamide, N-ethyl-1-hexyl-N-methyl-
Database identifiers
- CAS
5116-17-6- PubChem CID
- 796949
- DTXSID
DTXSID80355343
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 359.4 · 359.4±31.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- pka
- 9.08 · 9.08±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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