2-Methoxy-4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl 4-[[8-[(2-methyl-1-oxo-2-propen-1-yl)oxy]octyl]oxy]benzoate
Basic information
- CAS
724731-93-5- Standard SMILES
C=C(C)C(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(C=CC(=O)OC)cc2OC)cc1- InChIKey
OITQNSMDNOHHHH-UHFFFAOYSA-N- Molecular formula
- C30H36O8
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.2410181
Names & identifiers
- Preferred name
- 2-Methoxy-4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl 4-[[8-[(2-methyl-1-oxo-2-propen-1-yl)oxy]octyl]oxy]benzoate
- IUPAC
- [2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 4-[8-(2-methylprop-2-enoyloxy)octoxy]benzoate
Names & synonyms
SCHEMBL6254030DTXSID7011088702-Methoxy-4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl 4-[[8-[(2-methyl-1-oxo-2-propen-1-yl)oxy]octyl]oxy]benzoate724731-93-5
Database identifiers
- CAS
724731-93-5- PubChem CID
- 69721905
- DTXSID
DTXSID701108870- EC Number
- 615-764-6
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 768
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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