2H-Pyran-2,4(3H)-dione, dihydro-3,3,5,5-tetramethyl-6-(4-nitrophenyl)-
Basic information
- CAS
361469-67-2- Standard SMILES
CC1(C)C(=O)OC(c2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O- InChIKey
ZRDYCSSILVXCHI-UHFFFAOYSA-N- Molecular formula
- C15H17NO5
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.11067264
Names & identifiers
- Preferred name
- 2H-Pyran-2,4(3H)-dione, dihydro-3,3,5,5-tetramethyl-6-(4-nitrophenyl)-
- IUPAC
- 3,3,5,5-tetramethyl-6-(4-nitrophenyl)oxane-2,4-dione
Names & synonyms
361469-67-2DTXSID103386892H-Pyran-2,4(3H)-dione, dihydro-3,3,5,5-tetramethyl-6-(4-nitrophenyl)-RefChem:268843DTXCID002897723,3,5,5-Tetramethyl-6-(4-nitrophenyl)dihydro-2H-pyran-2,4(3H)-dione3,3,5,5-tetramethyl-6-(4-nitrophenyl)oxane-2,4-dioneOprea1_420863Oprea1_604701MLS001197170CHEMBL1346264ZRDYCSSILVXCHI-UHFFFAOYSA-N
Show more names
HMS2867K14STK764002AKOS001643432AKOS021994823WAY-238601SMR000555556EU-0041169SR-01000459291
Database identifiers
- CAS
361469-67-2- PubChem CID
- 550685
- DTXSID
DTXSID10338689- ChEMBL
CHEMBL1346264- Nikkaji
- J1.609.787J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
Solubility2.5 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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