2,6-Bis(1,3-benzodioxol-4-ylmethylene)-3-methylcyclohexanone
Basic information
- CAS
330657-17-5- Standard SMILES
CC1CC/C(=C\c2cccc3c2OCO3)C(=O)/C1=C/c1cccc2c1OCO2- InChIKey
FSZSKZPBBDNRLI-MIKCAUBTSA-N- Molecular formula
- C23H20O5
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.13107373
Names & identifiers
- Preferred name
- 2,6-Bis(1,3-benzodioxol-4-ylmethylene)-3-methylcyclohexanone
- IUPAC
- (2E,6E)-2,6-bis(1,3-benzodioxol-4-ylmethylidene)-3-methylcyclohexan-1-one
- English name
- 2,6-Bis(1,3-benzodioxol-4-ylmethylene)-3-methylcyclohexanone
- Molecular formula
- C23H20O5
- Molecular weight
- 376.4
Names & synonyms
AKOS002345084ST0200782,6-BIS(1,3-BENZODIOXOL-4-YLMETHYLENE)-3-METHYLCYCLOHEXANONE6-(2H-benzo[2,3-d]1,3-dioxolan-4-ylmethylene)-2-(2H-benzo[2,3-d]1,3-dioxolen-4 -ylmethylene)-3-methylcyclohexan-1-oneCyclohexanone, 2,6-bis(1,3-benzodioxol-4-ylmethylene)-3-methyl-
Database identifiers
- CAS
330657-17-5- PubChem CID
- 6512294
- EC Number
- 123-140-5
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 580.996 · 580.996±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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