Cas no 19419-22-8 (1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-)
19419-22-8 structure
Product Name:1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-
CAS No:19419-22-8
MF:C20H30O4
MW:334.449806690216
CID:1386846
PubChem ID:627744
Update Time:2025-04-20
1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)butyl]-5,5-dimethylcyclohexane-1,3-dione
- CCG-253856
- 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-
- DTXSID20347904
- IDI1_014779
- HMS1440K04
- 19419-22-8
- Maybridge3_003392
-
- Inchi： 1S/C20H30O4/c1-6-7-12(17-13(21)8-19(2,3)9-14(17)22)18-15(23)10-20(4,5)11-16(18)24/h12,17-18H,6-11H2,1-5H3
- InChI Key： WVBDYZQCWMMUAG-UHFFFAOYSA-N
- SMILES： O=C1CC(C)(C)CC(C1C(CCC)C1C(CC(C)(C)CC1=O)=O)=O
Computed Properties
- Exact Mass: 334.2145
- Monoisotopic Mass: 334.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 482
- 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: 3.3
- Topological Polar Surface Area: 68.3?2
Experimental Properties
- PSA: 68.28
1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- Related Literature
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
19419-22-8 (1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-) Related Products
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