Cas no 156619-66-8 (1,9-Dioxacyclohexadecane-2,5,10-trione,13-hydroxy-8,16-bis(2-oxopropyl)-)
156619-66-8 structure
Product Name:1,9-Dioxacyclohexadecane-2,5,10-trione,13-hydroxy-8,16-bis(2-oxopropyl)-
CAS No:156619-66-8
MF:C20H30O8
MW:398.447407245636
CID:198260
PubChem ID:154688
Update Time:2025-04-19
1,9-Dioxacyclohexadecane-2,5,10-trione,13-hydroxy-8,16-bis(2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,9-Dioxacyclohexadecane-2,5,10-trione,13-hydroxy-8,16-bis(2-oxopropyl)-
- 13-hydroxy-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
- DTXSID40935488
- 156619-66-8
- CCRIS 6973
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- Inchi： 1S/C20H30O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h15,17-18,23H,3-12H2,1-2H3
- InChI Key： JXEAJIJCQCIJPG-UHFFFAOYSA-N
- SMILES： O1C(CCC(CCC(CC(C)=O)OC(CCC(CCC1CC(C)=O)O)=O)=O)=O
Computed Properties
- Exact Mass: 398.1941
- Monoisotopic Mass: 398.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 583
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 124?2
Experimental Properties
- Density: 1.123
- Boiling Point: 668.3°C at 760 mmHg
- Flash Point: 232.2°C
- Refractive Index: 1.463
- PSA: 124.04
1,9-Dioxacyclohexadecane-2,5,10-trione,13-hydroxy-8,16-bis(2-oxopropyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
156619-66-8 (1,9-Dioxacyclohexadecane-2,5,10-trione,13-hydroxy-8,16-bis(2-oxopropyl)-) Related Products
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