5-Acetyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane
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Basic information
- Standard SMILES
CC(=O)C1(C)COC(c2ccc([N+](=O)[O-])cc2)OC1- InChIKey
IFGNUGCEDKONGO-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- 5-Acetyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane
- IUPAC
- 1-[5-methyl-2-(4-nitrophenyl)-1,3-dioxan-5-yl]ethanone
Names & synonyms
SCHEMBL9339218IFGNUGCEDKONGO-UHFFFAOYSA-N5-ACETYL-5-METHYL-2-(4-NITROPHENYL)-1,3-DIOXANE
Database identifiers
- PubChem CID
- 13005017
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
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Related reactions
1 records
Compound notes
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