Cas no 61533-72-0 (Oxacyclohexadecane-2,13-dione, 16-ethyl-16-methyl-)
61533-72-0 structure
Product Name:Oxacyclohexadecane-2,13-dione, 16-ethyl-16-methyl-
CAS No:61533-72-0
MF:C18H32O3
MW:296.444886207581
CID:475902
PubChem ID:71394874
Update Time:2025-04-19
Oxacyclohexadecane-2,13-dione, 16-ethyl-16-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxacyclohexadecane-2,13-dione, 16-ethyl-16-methyl-
- 16-ethyl-16-methyl-oxacyclohexadecane-2,13-dione
- DTXSID80816540
- 16-ETHYL-16-METHYL-1-OXACYCLOHEXADECANE-2,13-DIONE
- 61533-72-0
-
- Inchi： 1S/C18H32O3/c1-3-18(2)15-14-16(19)12-10-8-6-4-5-7-9-11-13-17(20)21-18/h3-15H2,1-2H3
- InChI Key： AGSQFTRVOWUFEU-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCCCCCC(CCC1(C)CC)=O)=O
Computed Properties
- Exact Mass: 296.23526
- Monoisotopic Mass: 296.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 324
- 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: 5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Oxacyclohexadecane-2,13-dione, 16-ethyl-16-methyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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