Cas no 651303-37-6 (Benzene, (2,3-diethyl-2,4-cyclopentadien-1-yl)-)
651303-37-6 structure
Product Name:Benzene, (2,3-diethyl-2,4-cyclopentadien-1-yl)-
CAS No:651303-37-6
MF:C15H18
MW:198.303424358368
CID:406669
PubChem ID:71376998
Update Time:2025-04-19
Benzene, (2,3-diethyl-2,4-cyclopentadien-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (2,3-diethyl-2,4-cyclopentadien-1-yl)-
- (2,3-diethylcyclopenta-2,4-dien-1-yl)benzene
- 651303-37-6
- DTXSID50799659
-
- Inchi: 1S/C15H18/c1-3-12-10-11-15(14(12)4-2)13-8-6-5-7-9-13/h5-11,15H,3-4H2,1-2H3
- InChI Key: AXZPIEQBTYZHCB-UHFFFAOYSA-N
- SMILES: C1(C2C=CC=CC=2)C=CC(CC)=C1CC
Computed Properties
- Exact Mass: 198.14094
- Monoisotopic Mass: 198.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, (2,3-diethyl-2,4-cyclopentadien-1-yl)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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