Cas no 57931-85-8 (2,4(1H,3H)-Quinolinedione, 1-methyl-3,3-bis(3-methyl-2-butenyl)-)
57931-85-8 structure
Product Name:2,4(1H,3H)-Quinolinedione, 1-methyl-3,3-bis(3-methyl-2-butenyl)-
CAS No:57931-85-8
MF:C20H25NO2
MW:311.41800570488
CID:1607190
PubChem ID:12242838
Update Time:2025-04-21
2,4(1H,3H)-Quinolinedione, 1-methyl-3,3-bis(3-methyl-2-butenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Quinolinedione, 1-methyl-3,3-bis(3-methyl-2-butenyl)-
- 1-methyl-3,3-bis(3-methylbut-2-enyl)quinoline-2,4-dione
- 3,3-Diisopentenyl-N-methyl-2,4-quinoldione
- 57931-85-8
- DPDOQGICSCTEJS-UHFFFAOYSA-N
- DTXSID30482052
-
- Inchi： 1S/C20H25NO2/c1-14(2)10-12-20(13-11-15(3)4)18(22)16-8-6-7-9-17(16)21(5)19(20)23/h6-11H,12-13H2,1-5H3
- InChI Key： DPDOQGICSCTEJS-UHFFFAOYSA-N
- SMILES： O=C1C(C(C2C=CC=CC=2N1C)=O)(C/C=C(\C)/C)C/C=C(\C)/C
Computed Properties
- Exact Mass: 311.18865
- Monoisotopic Mass: 311.188529040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 516
- 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: 4.7
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
2,4(1H,3H)-Quinolinedione, 1-methyl-3,3-bis(3-methyl-2-butenyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Quinolines and derivatives Hydroquinolones
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Hydroquinolones
- Natural Products and Extracts Plant Extracts Plant based Esenbeckia flava
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