Cas no 88008-03-1 (2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-oxopropyl)-)
88008-03-1 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-oxopropyl)-
CAS No:88008-03-1
MF:C12H14O3
MW:206.237763881683
CID:648792
PubChem ID:13139054
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-oxopropyl)-
- 2,3,5-trimethyl-6-(2-oxopropyl)cyclohexa-2,5-diene-1,4-dione
- DTXSID80521046
- 88008-03-1
-
- Inchi： 1S/C12H14O3/c1-6(13)5-10-9(4)11(14)7(2)8(3)12(10)15/h5H2,1-4H3
- InChI Key： SDDWWGPUPHMMDO-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(C)C(C(C)=C1CC(C)=O)=O
Computed Properties
- Exact Mass: 206.094294304g/mol
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 422
- 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: 0.8
- Topological Polar Surface Area: 51.2?2
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-oxopropyl)- Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
88008-03-1 (2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-oxopropyl)-) Related Products
- 6902-91-6(Germacrone)
- 527-61-7(2,6-Dimethylbenzoquinone)
- 112055-76-2(2,5-Cyclohexadiene-1,4-dione,5-decyl-2,3-dimethyl-)
- 935-92-2(2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione)
- 527-17-3(2,3,5,6-Tetramethyl-p-benzoquinone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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