Basic information
- CAS
15795-54-7- Standard SMILES
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1- InChIKey
XVQBJKRSEOLQER-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- 5-(4-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(4-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-[(4-METHOXYPHENYL)METHYLENE]-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
- Molecular formula
- C14H14O5
- Molecular weight
- 262.26
Names & synonyms
15795-54-75-[(4-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-(4-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-[(4-methoxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dioneNSC6366261,3-dioxane-4,6-dione, 5-[(4-methoxyphenyl)methylene]-2,2-dimethyl-MFCD00128555SCHEMBL3076077CHEMBL1214032DTXSID90327172AKOS002270887NSC-636626
Show more names
AURORA 2058
CS-0360582ST507514925B-0582,2-Dimethyl-5-(4-methoxyphenyl)methylene-1,3-dioxan-4,6-dione5-(4-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione #
Database identifiers
- CAS
15795-54-7- PubChem CID
- 367157
- DTXSID
DTXSID90327172- ChEMBL
CHEMBL1214032- Nikkaji
- J1.099.243E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
AURORA[email protected]
Related reactions
1 records
Compound notes
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