Cas no 61127-96-6 (Oxacyclohexadecanedione)
Oxacyclohexadecanedione structure
Product Name:Oxacyclohexadecanedione
CAS No:61127-96-6
MF:C15H26O3
MW:254.365145206451
CID:491200
PubChem ID:71399156
Update Time:2025-04-19
Oxacyclohexadecanedione Chemical and Physical Properties
Names and Identifiers
-
- Oxacyclohexadecanedione
- oxacyclohexadecane-2,3-dione
- DTXSID70820535
- 1-OXACYCLOHEXADECANE-2,3-DIONE
- 61127-96-6
-
- Inchi： 1S/C15H26O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18-15(14)17/h1-13H2
- InChI Key： UWJFGSNHGFTIOY-UHFFFAOYSA-N
- SMILES： O1C(C(CCCCCCCCCCCCC1)=O)=O
Computed Properties
- Exact Mass: 254.18828
- Monoisotopic Mass: 254.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 248
- 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: 5.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Oxacyclohexadecanedione Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
61127-96-6 (Oxacyclohexadecanedione) Related Products
- 108-56-5(Diethyl 2-oxobutanedioate)
- 5753-96-8(Ethyl 2-oxohexanoate)
- 20577-61-1(Methyl 2,4-dioxopentanoate)
- 15933-07-0(Ethyl 2-oxobutanoate)
- 13192-04-6(Dimethyl 2-Ketoglutaconate)
- 13246-52-1(Ethyl 2,4-dioxohexanoate)
- 50461-74-0(Ethyl 2-Oxopentanoate)
- 615-79-2(ethyl 2,4-dioxopentanoate)
- 3952-66-7(Methyl 2-oxobutanoate)
- 5965-53-7(Diethyl 2-oxopentanedioate)
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