Cas no 54350-54-8 (3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-PENTADECAOXAHEPTAPENTACONTAN-1-OL)
54350-54-8 structure
Product Name:3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-PENTADECAOXAHEPTAPENTACONTAN-1-OL
CAS No:54350-54-8
MF:C42H86O16
MW:847.122656345367
CID:3291237
PubChem ID:9832723
Update Time:2025-04-21
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-PENTADECAOXAHEPTAPENTACONTAN-1-OL Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-PENTADECAOXAHEPTAPENTACONTAN-1-OL
- PolidocanolImpurity7
- 54350-54-8
- NS00014610
- DTXSID10431407
-
- Inchi： 1S/C42H86O16/c1-2-3-4-5-6-7-8-9-10-11-13-44-15-17-46-19-21-48-23-25-50-27-29-52-31-33-54-35-37-56-39-41-58-42-40-57-38-36-55-34-32-53-30-28-51-26-24-49-22-20-47-18-16-45-14-12-43/h43H,2-42H2,1H3
- InChI Key： VFZBRAARIDAFGK-UHFFFAOYSA-N
- SMILES： C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
Computed Properties
- Exact Mass: 890.61780140Da
- Monoisotopic Mass: 890.61780140Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 61
- Rotatable Bond Count: 58
- Complexity: 746
- 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: 2.9
- Topological Polar Surface Area: 168?2
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-PENTADECAOXAHEPTAPENTACONTAN-1-OL Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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