Cas no 365978-38-7 (Cyclopentanone,2,2-dimethyl-3-(1-methylethyl)-, oxime, (1E,3R)-)
365978-38-7 structure
Product Name:Cyclopentanone,2,2-dimethyl-3-(1-methylethyl)-, oxime, (1E,3R)-
CAS No:365978-38-7
MF:C10H19NO
MW:169.263962984085
CID:297384
Update Time:2024-01-27
Cyclopentanone,2,2-dimethyl-3-(1-methylethyl)-, oxime, (1E,3R)- Chemical and Physical Properties
Names and Identifiers
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- Cyclopentanone,2,2-dimethyl-3-(1-methylethyl)-, oxime, (1E,3R)-
- Cyclopentanone, 2,2-dimethyl-3-(1-methylethyl)-, oxime, (1E,3R)- (9CI)
- Cyclopentanone, 2,2-dimethyl-3-(1-methylethyl)-, oxime, (1E,3R)-
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- Inchi： 1S/C10H19NO/c1-7(2)8-5-6-9(11-12)10(8,3)4/h7-8,12H,5-6H2,1-4H3/b11-9+/t8-/m1/s1
- InChI Key： GJZYJTMWAPQUJZ-ITCPUHJZSA-N
- SMILES： C1(=N/O)/CC[C@H](C(C)C)C/1(C)C
Computed Properties
- Exact Mass: 169.147
- Monoisotopic Mass: 169.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.6A^2
Experimental Properties
- Density: 1.00±0.1 g/cm3(Predicted)
- Boiling Point: 242.1±9.0 °C(Predicted)
- pka: 12.44±0.60(Predicted)
Cyclopentanone,2,2-dimethyl-3-(1-methylethyl)-, oxime, (1E,3R)- 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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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