2,8-Bis(4-phenylbenzyl)cyclooctanone
Basic information
- CAS
53774-94-0- Standard SMILES
O=C1C(Cc2ccc(-c3ccccc3)cc2)CCCCCC1Cc1ccc(-c2ccccc2)cc1- InChIKey
AGMAGSBLQDKWBK-UHFFFAOYSA-N- Molecular formula
- C34H34O
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.2609657
Names & identifiers
- Preferred name
- 2,8-Bis(4-phenylbenzyl)cyclooctanone
- IUPAC
- 2,8-bis[(4-phenylphenyl)methyl]cyclooctan-1-one
- English name
- Cyclooctanone, 2,8-bis((1,1'-biphenyl)-4-ylmethyl)-
- Molecular formula
- C34H34O
- Molecular weight
- 458.63
Names & synonyms
53774-94-0Cyclooctanone, 2,8-bis((1,1'-biphenyl)-4-ylmethyl)-2,8-Bis(4-phenylbenzyl)cyclooctanone2,8-Bis((1,1'-biphenyl)-4-ylmethyl)cyclooctanoneDTXSID80968553DB-3261562,8-Bis[([1,1'-biphenyl]-4-yl)methyl]cyclooctan-1-one
Database identifiers
- CAS
53774-94-0- PubChem CID
- 3045393
- DTXSID
DTXSID80968553
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Boiling point
- 630.8 · 630.8±44.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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