Cas no 6337-52-6 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-methylprop-2-enyl)-2-prop-2-enoxy-3-prop-2-enylbenzene
- 1-(2-methylprop-2-en-1-yl)-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzene
- AC1L5VN5
- AC1Q565P
- AR-1B1052
- CTK5B8879
- KST-1B8020
- NSC38009
- NSC-38009
- DTXSID90284610
- 6337-52-6
-
-
- Inchi： 1S/C16H20O/c1-5-8-14-9-7-10-15(12-13(3)4)16(14)17-11-6-2/h5-7,9-10H,1-3,8,11-12H2,4H3
- InChI Key： WTGDLDXQSCTOGU-UHFFFAOYSA-N
- SMILES： O(CC=C)C1C(=CC=CC=1CC(=C)C)CC=C
Computed Properties
- Exact Mass: 228.1515
- Monoisotopic Mass: 228.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 267
- 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
- XLogP3: 5.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
- LogP: 4.09850
Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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