Cas no 52186-14-8 (2,8-bis(2,4,6-trimethylbenzyl)cyclooctanone)
52186-14-8 structure
Product Name:2,8-bis(2,4,6-trimethylbenzyl)cyclooctanone
CAS No:52186-14-8
MF:C28H38O
MW:390.60072851181
CID:1576202
PubChem ID:3045384
Update Time:2025-04-21
2,8-bis(2,4,6-trimethylbenzyl)cyclooctanone Chemical and Physical Properties
Names and Identifiers
-
- 2,8-Bis((2,4,6-trimethylphenyl)methyl)cyclooctanone
- 2,8-Bis(2,4,6-trimethylbenzyl)cyclooctanone
- Cyclooctanone, 2,8-bis((2,4,6-trimethylphenyl)methyl)-
- 2,8-bis[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-one
- 2-(alpha,4-Dimethoxybenzyl)-8-(4-methoxybenzyl)cyclooctanone
- 52186-14-8
- DTXSID90966560
- 2,8-bis(2,4,6-trimethylbenzyl)cyclooctanone
-
- Inchi： 1S/C28H38O/c1-18-12-20(3)26(21(4)13-18)16-24-10-8-7-9-11-25(28(24)29)17-27-22(5)14-19(2)15-23(27)6/h12-15,24-25H,7-11,16-17H2,1-6H3
- InChI Key： SWIXSJUZPOBXMH-UHFFFAOYSA-N
- SMILES： O=C1C(CC2C(C)=CC(C)=CC=2C)CCCCCC1CC1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 390.29244
- Monoisotopic Mass: 390.292265831g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 456
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,8-bis(2,4,6-trimethylbenzyl)cyclooctanone Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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