Cas no 79997-19-6 (Ethanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-)
79997-19-6 structure
Product Name:Ethanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-
CAS No:79997-19-6
MF:C22H26O6
MW:386.438247203827
CID:564674
PubChem ID:3061903
Update Time:2025-04-19
Ethanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-
- 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2-phenylethanone
- 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-16,18,20-trien-18-yl)-2 -phenyl-ethanone
- 1-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenylethanone
- AKOS005459588
- Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-
- Phenylacetylbenzo-15-crown-5
- BRN 3573073
- 79997-19-6
- DTXSID70229988
-
- Inchi： 1S/C22H26O6/c23-20(16-18-4-2-1-3-5-18)19-6-7-21-22(17-19)28-15-13-26-11-9-24-8-10-25-12-14-27-21/h1-7,17H,8-16H2
- InChI Key： QBEPQLAQRHBUSE-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOCCOC2C=CC(C(CC3C=CC=CC=3)=O)=CC1=2
Computed Properties
- Exact Mass: 386.17293854g/mol
- Monoisotopic Mass: 386.17293854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 3
- Complexity: 437
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 63.2?2
Ethanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
79997-19-6 (Ethanone,1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-phenyl-) Related Products
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