Cas no 61621-67-8 (1,3-Cyclohexanedione, 5,5'-(1,6-hexanediyl)bis-)
61621-67-8 structure
Product Name:1,3-Cyclohexanedione, 5,5'-(1,6-hexanediyl)bis-
CAS No:61621-67-8
MF:C18H26O4
MW:306.396646022797
CID:472499
PubChem ID:71394045
Update Time:2025-04-19
1,3-Cyclohexanedione, 5,5'-(1,6-hexanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 5,5'-(1,6-hexanediyl)bis-
- 5-[6-(3,5-dioxocyclohexyl)hexyl]cyclohexane-1,3-dione
- DTXSID40815776
- 5,5'-(Hexane-1,6-diyl)di(cyclohexane-1,3-dione)
- 61621-67-8
-
- Inchi： 1S/C18H26O4/c19-15-7-13(8-16(20)11-15)5-3-1-2-4-6-14-9-17(21)12-18(22)10-14/h13-14H,1-12H2
- InChI Key： WDSBSNXSMGNSBQ-UHFFFAOYSA-N
- SMILES： O=C1CC(CC(C1)CCCCCCC1CC(CC(C1)=O)=O)=O
Computed Properties
- Exact Mass: 306.18318
- Monoisotopic Mass: 306.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 378
- 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: 2.8
- Topological Polar Surface Area: 68.3?2
Experimental Properties
- PSA: 68.28
1,3-Cyclohexanedione, 5,5'-(1,6-hexanediyl)bis- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
61621-67-8 (1,3-Cyclohexanedione, 5,5'-(1,6-hexanediyl)bis-) Related Products
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