Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C1c2ccccc2CCc2ccccc21- InChIKey
FRVCYHODLWKOAD-UHFFFAOYSA-N- Molecular formula
- C22H24O4
- Average molar mass
- 352.4 g/mol
Names & identifiers
- Preferred name
- Diethyl 10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-malonate
- IUPAC
- diethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanedioate
Names & synonyms
SCHEMBL10742068FRVCYHODLWKOAD-UHFFFAOYSA-NDiethyl 10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-malonate
Database identifiers
- PubChem CID
- 20187928
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
Related reactions
5 records
Compound notes
Loading…