Cas no 110015-80-0 (2,2,13,13-tetramethylcyclotridecan-1-one)
110015-80-0 structure
Product Name:2,2,13,13-tetramethylcyclotridecan-1-one
CAS No:110015-80-0
MF:C17H32O
MW:252.435385704041
CID:1189099
PubChem ID:71335060
Update Time:2025-04-20
2,2,13,13-tetramethylcyclotridecan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2,2,13,13-tetramethylcyclotridecan-1-one
- 110015-80-0
- 2,2,13,13-tetramethylcyclotridecanone
- DTXSID80763085
-
- Inchi： 1S/C17H32O/c1-16(2)13-11-9-7-5-6-8-10-12-14-17(3,4)15(16)18/h5-14H2,1-4H3
- InChI Key： QXLTXOUCFYQECV-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)CCCCCCCCCCC1(C)C
Computed Properties
- Exact Mass: 252.24546
- Monoisotopic Mass: 252.245315640g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 237
- 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: 6.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,2,13,13-tetramethylcyclotridecan-1-one Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
110015-80-0 (2,2,13,13-tetramethylcyclotridecan-1-one) Related Products
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