Ethanone, 1,1'-(4,5,9,10-tetrahydro-2,7-pyrenediyl)bis-
Basic information
- CAS
86470-98-6- Standard SMILES
CC(=O)c1cc2c3c(c1)CCc1cc(C(C)=O)cc(c1-3)CC2- InChIKey
XBFPUOPDYTZYER-UHFFFAOYSA-N- Molecular formula
- C20H18O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.13067981
Names & identifiers
- Preferred name
- Ethanone, 1,1'-(4,5,9,10-tetrahydro-2,7-pyrenediyl)bis-
- IUPAC
- 1-(7-acetyl-4,5,9,10-tetrahydropyren-2-yl)ethanone
Names & synonyms
Ethanone, 1,1'-(4,5,9,10-tetrahydro-2,7-pyrenediyl)bis-86470-98-6DTXSID60235573RefChem:340972DTXCID90158064SCHEMBL178800022,7-diacetyl-4,5,9,10-tetrahydropyrene1,1'-(4,5,9,10-Tetrahydropyrene-2,7-diyl)di(ethan-1-one)
Database identifiers
- CAS
86470-98-6- PubChem CID
- 186345
- DTXSID
DTXSID60235573
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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