Cas no 59782-63-7 (1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-)
59782-63-7 structure
Product Name:1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
CAS No:59782-63-7
MF:C28H50OS
MW:434.761007785797
CID:950676
PubChem ID:629474
Update Time:2025-04-19
1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)-
- 59782-63-7
- 1-(4-Methyl-5-tridecyl-2-thienyl)-1-decanone #
- ZPVGGMUHWJKJKW-UHFFFAOYSA-N
- DB-322836
-
- Inchi： 1S/C28H50OS/c1-4-6-8-10-12-13-14-15-17-19-21-23-27-25(3)24-28(30-27)26(29)22-20-18-16-11-9-7-5-2/h24H,4-23H2,1-3H3
- InChI Key： ZPVGGMUHWJKJKW-UHFFFAOYSA-N
- SMILES： S1C(=CC(C)=C1CCCCCCCCCCCCC)C(CCCCCCCCC)=O
Computed Properties
- Exact Mass: 434.35823739g/mol
- Monoisotopic Mass: 434.35823739g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 21
- Complexity: 394
- 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: 12.7
- Topological Polar Surface Area: 45.3?2
1-Decanone, 1-(4-methyl-5-tridecyl-2-thienyl)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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