Cas no 61533-71-9 (Oxacyclohexadecane-2,13-dione, 16,16-dimethyl-)
61533-71-9 structure
Product Name:Oxacyclohexadecane-2,13-dione, 16,16-dimethyl-
CAS No:61533-71-9
MF:C17H30O3
MW:282.418305873871
CID:475903
PubChem ID:71394875
Update Time:2025-04-19
Oxacyclohexadecane-2,13-dione, 16,16-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxacyclohexadecane-2,13-dione, 16,16-dimethyl-
- 16,16-dimethyl-oxacyclohexadecane-2,13-dione
- 16,16-DIMETHYL-1-OXACYCLOHEXADECANE-2,13-DIONE
- DTXSID40816541
- 61533-71-9
-
- Inchi： 1S/C17H30O3/c1-17(2)14-13-15(18)11-9-7-5-3-4-6-8-10-12-16(19)20-17/h3-14H2,1-2H3
- InChI Key： KMJBAGYDKIJHIA-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCCCCCC(CCC1(C)C)=O)=O
Computed Properties
- Exact Mass: 282.2196
- Monoisotopic Mass: 282.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 307
- 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: 4.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Oxacyclohexadecane-2,13-dione, 16,16-dimethyl- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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