Cas no 57785-39-4 (Oxacyclohexadecane-2,13-dione, 16-methyl-)
57785-39-4 structure
Product Name:Oxacyclohexadecane-2,13-dione, 16-methyl-
CAS No:57785-39-4
MF:C16H28O3
MW:268.391725540161
CID:344204
PubChem ID:12857452
Update Time:2025-04-19
Oxacyclohexadecane-2,13-dione, 16-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxacyclohexadecane-2,13-dione, 16-methyl-
- 16-methyl-oxacyclohexadecane-2,13-dione
- 16-METHYL-1-OXACYCLOHEXADECANE-2,13-DIONE
- 57785-39-4
- DTXSID90511594
-
- Inchi： 1S/C16H28O3/c1-14-12-13-15(17)10-8-6-4-2-3-5-7-9-11-16(18)19-14/h14H,2-13H2,1H3
- InChI Key： LTLJFUQAACYNAP-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCCCCCC(CCC1C)=O)=O
Computed Properties
- Exact Mass: 268.20394
- Monoisotopic Mass: 268.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Oxacyclohexadecane-2,13-dione, 16-methyl- 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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
57785-39-4 (Oxacyclohexadecane-2,13-dione, 16-methyl-) Related Products
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