Cas no 656257-09-9 (2-Butanone, 1,4-bis(octyloxy)-)
656257-09-9 structure
Product Name:2-Butanone, 1,4-bis(octyloxy)-
CAS No:656257-09-9
MF:C20H40O3
MW:328.529807090759
CID:397893
PubChem ID:71375550
Update Time:2025-04-19
2-Butanone, 1,4-bis(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 1,4-bis(octyloxy)-
- 1,4-dioctoxybutan-2-one
- 1,4-BIS(OCTYLOXY)BUTAN-2-ONE
- DTXSID30798286
- 656257-09-9
-
- Inchi： 1S/C20H40O3/c1-3-5-7-9-11-13-16-22-18-15-20(21)19-23-17-14-12-10-8-6-4-2/h3-19H2,1-2H3
- InChI Key： OJJLTKOZBLSXQO-UHFFFAOYSA-N
- SMILES： O(CCC(COCCCCCCCC)=O)CCCCCCCC
Computed Properties
- Exact Mass: 328.2979
- Monoisotopic Mass: 328.29774513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 19
- Complexity: 241
- 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: 6.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2-Butanone, 1,4-bis(octyloxy)- Related Literature
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
656257-09-9 (2-Butanone, 1,4-bis(octyloxy)-) Related Products
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