Cas no 5682-74-6 (2-Cyclopenten-1-one, 3-(2-methylpropoxy)-)
5682-74-6 structure
Product Name:2-Cyclopenten-1-one, 3-(2-methylpropoxy)-
CAS No:5682-74-6
MF:C9H14O2
MW:154.206263065338
CID:347743
PubChem ID:12579141
Update Time:2025-04-19
2-Cyclopenten-1-one, 3-(2-methylpropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one, 3-(2-methylpropoxy)-
- 3-(2-methylpropoxy)cyclopent-2-en-1-one
- UTJFUDRUZRBQJZ-UHFFFAOYSA-N
- 3-Isobutoxycyclopent-2-enone
- 5682-74-6
- DTXSID90503232
- SCHEMBL3643718
- 3-Isobutoxy-cyclopent-2-enone
- 3-isobutoxycyclopent-2-en-1-one
-
- Inchi： 1S/C9H14O2/c1-7(2)6-11-9-4-3-8(10)5-9/h5,7H,3-4,6H2,1-2H3
- InChI Key： UTJFUDRUZRBQJZ-UHFFFAOYSA-N
- SMILES： O(C1=CC(CC1)=O)CC(C)C
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 180
- 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: 1.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Cyclopenten-1-one, 3-(2-methylpropoxy)- 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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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