Cas no 5408-18-4 (1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl-)
5408-18-4 structure
Product Name:1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl-
CAS No:5408-18-4
MF:C14H24O4
MW:256.337965011597
CID:385690
PubChem ID:223286
Update Time:2025-04-19
1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl-
- NSC 10779
- NSC10779
- NSC-10779
- DTXSID80968917
- 5408-18-4
- 5,5-diethyl-2,2-dipropyl-1,3-dioxane-4,6-dione
-
- Inchi： 1S/C14H24O4/c1-5-9-14(10-6-2)17-11(15)13(7-3,8-4)12(16)18-14/h5-10H2,1-4H3
- InChI Key： BBMAPDBRAHSYQQ-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(CCC)CCC)(CC)CC)=O
Computed Properties
- Exact Mass: 256.16752
- Monoisotopic Mass: 256.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 290
- 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
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.979±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 403.1°Cat760mmHg
- Flash Point: 200.7°C
- Refractive Index: 1.435
- Solubility: Very slightly soluble (0.92 g/l) (25 o C),
- PSA: 52.6
- LogP: 3.18930
1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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