Cas no 113591-61-0 (3,10-dioxabicyclo[10.4.0]hexadecane-2,11-dione)
![3,10-dioxabicyclo[10.4.0]hexadecane-2,11-dione structure](https://ossimg.kuujia.com/scimg/114000/113591-61-0x500.png)
113591-61-0 structure
Product Name:3,10-dioxabicyclo[10.4.0]hexadecane-2,11-dione
CAS No:113591-61-0
MF:C14H22O4
MW:254.322084903717
CID:2611183
PubChem ID:67613352
Update Time:2025-04-21
3,10-dioxabicyclo[10.4.0]hexadecane-2,11-dione Chemical and Physical Properties
Names and Identifiers
-
- 3,10-dioxabicyclo[10.4.0]hexadecane-2,11-dione
- SCHEMBL8523479
- Dodecahydro-2,9-benzodioxacyclododecine-1,10-dione
- DTXSID60737542
- 113591-61-0
-
- Inchi： 1S/C14H22O4/c15-13-11-7-3-4-8-12(11)14(16)18-10-6-2-1-5-9-17-13/h11-12H,1-10H2
- InChI Key： QRQRFFYXXWXBMU-UHFFFAOYSA-N
- SMILES： O1CCCCCCOC(C2CCCCC2C1=O)=O
Computed Properties
- Exact Mass: 254.15180918Da
- Monoisotopic Mass: 254.15180918Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 270
- 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: 2.7
- Topological Polar Surface Area: 52.6?2
3,10-dioxabicyclo[10.4.0]hexadecane-2,11-dione Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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