Cas no 18989-35-0 (Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]-)
18989-35-0 structure
Product Name:Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]-
Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]-
- (2E,6Z)-2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one
- 2,6-bis(p-methylbenzylidene)cyclohexan-1-one
- 2,6-bis(4-methylbenzylidene)cyclohexanone
- Einecs 242-723-6
- 2,6-Bis(p-methylbenzylidene)cyclohexanone
- 1,3-Bis(4-methylbenzylidene)cyclohexane-2-one
- 2,6-Bis(4-methylbenzylidene)cyclohexane-1-one
- 2,6-Bis[(4-methylphenyl)methylene]cyclohexanone
- (2Z,6E)-2,6-bis(4-methylbenzylidene)cyclohexanone
- 2,6-bis(4'-methylbenzylidene) cyclohexanone
- NS00053697
- 2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one
- SCHEMBL11482543
- 18989-35-0
- DTXSID40940512
-
- Inchi: 1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3
- InChI Key: CETXDHNPPYXEOF-UHFFFAOYSA-N
- SMILES: O=C1C(=CC2C=CC(C)=CC=2)CCCC1=CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 302.16716
- Monoisotopic Mass: 302.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 426
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 5.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.115
- Boiling Point: 495.2°Cat760mmHg
- Flash Point: 217.5°C
- Refractive Index: 1.648
- PSA: 17.07
Cyclohexanone,2,6-bis[(4-methylphenyl)methylene]- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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