Cas no 89129-55-5 ([1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4-dimethyl-)
![[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4-dimethyl- structure](https://ossimg.kuujia.com/scimg/89500/89129-55-5x500.png)
89129-55-5 structure
Product Name:[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4-dimethyl-
CAS No:89129-55-5
MF:C16H22O4
MW:278.343485355377
CID:611429
PubChem ID:13180968
Update Time:2025-04-19
[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4-dimethyl-
- 2-(2-acetyl-3-oxocyclohexyl)-5,5-dimethylcyclohexane-1,3-dione
- 89129-55-5
- DTXSID40525166
- 2'-Acetyl-4,4-dimethyl[1,1'-bi(cyclohexane)]-2,3',6-trione
-
- Inchi： 1S/C16H22O4/c1-9(17)14-10(5-4-6-11(14)18)15-12(19)7-16(2,3)8-13(15)20/h10,14-15H,4-8H2,1-3H3
- InChI Key： OOLCDKVKLKTQML-UHFFFAOYSA-N
- SMILES： O=C1CC(C)(C)CC(C1C1CCCC(C1C(C)=O)=O)=O
Computed Properties
- Exact Mass: 278.15180918g/mol
- Monoisotopic Mass: 278.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 455
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 68.3?2
[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4-dimethyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
89129-55-5 ([1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4-dimethyl-) Related Products
- 8008-88-6(Valerian root oil)
- 2408-37-9(2,2,6-Trimethylcyclohexanone)
- 1118-71-4(Dipivaloylmethane)
- 1728-46-7(2-tert-butylcyclohexan-1-one)
- 1660-04-4(1-(1-adamantyl)ethanone)
- 1193-55-1(2-Methylcyclohexane-1,3-dione)
- 559-74-0(Friedelin)
- 874-23-7(2-acetylcyclohexan-1-one)
- 7307-04-2(5,5-Dimethylhexane-2,4-dione)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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