2,7-Bis[(2,5-dimethoxyphenyl)methylidene]cycloheptan-1-one
Basic information
- CAS
353267-34-2- Standard SMILES
COc1ccc(OC)c(C=C2CCCCC(=Cc3cc(OC)ccc3OC)C2=O)c1- InChIKey
QOVCHXXDOAJPKQ-UHFFFAOYSA-N- Molecular formula
- C25H28O5
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.19367399
Names & identifiers
- Preferred name
- 2,7-Bis[(2,5-dimethoxyphenyl)methylidene]cycloheptan-1-one
- IUPAC
- 2,7-bis[(2,5-dimethoxyphenyl)methylidene]cycloheptan-1-one
Names & synonyms
2,7-Bis[(2,5-dimethoxyphenyl)methylene]cycloheptanone2,7-bis[(2,5-dimethoxyphenyl)methylidene]cycloheptan-1-oneDTXSID901212811353267-34-2
Database identifiers
- CAS
353267-34-2- PubChem CID
- 3323558
- DTXSID
DTXSID901212811
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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