4-Formyl-3,8-dimethoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1cc(OC)c(C)c2c1Oc1c(C=O)c(OC)cc(C)c1C(=O)O2- InChIKey
JJTNOTYQCHYAPF-UHFFFAOYSA-N- Molecular formula
- C20H18O8
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 4-Formyl-3,8-dimethoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid methyl ester
- IUPAC
- methyl 10-formyl-3,9-dimethoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylate
Names & synonyms
SCHEMBL2113434JJTNOTYQCHYAPF-UHFFFAOYSA-N4-Formyl-3,8-dimethoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 16079062
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…