Cas no 833446-65-4 (4,7,10,13,16,19,22,25-Octaoxapentatriacontan-2-one)
833446-65-4 structure
Product Name:4,7,10,13,16,19,22,25-Octaoxapentatriacontan-2-one
CAS No:833446-65-4
MF:C27H54O9
MW:522.712270259857
CID:673445
PubChem ID:71415660
Update Time:2025-04-19
4,7,10,13,16,19,22,25-Octaoxapentatriacontan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 4,7,10,13,16,19,22,25-Octaoxapentatriacontan-2-one
- 1-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
- 833446-65-4
- DTXSID00835071
-
- Inchi： 1S/C27H54O9/c1-3-4-5-6-7-8-9-10-11-29-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-22-23-35-24-25-36-26-27(2)28/h3-26H2,1-2H3
- InChI Key： KLZFNMUICDMPJX-UHFFFAOYSA-N
- SMILES： O(CCOCCOCCOCCOCCOCCOCCOCC(C)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 522.37678330g/mol
- Monoisotopic Mass: 522.37678330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 36
- Rotatable Bond Count: 32
- Complexity: 424
- 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: 3.3
- Topological Polar Surface Area: 90.9?2
4,7,10,13,16,19,22,25-Octaoxapentatriacontan-2-one Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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