Cas no 47189-08-2 (p-Diacetylbenzene diethyl ketal)
47189-08-2 structure
Product Name:p-Diacetylbenzene diethyl ketal
CAS No:47189-08-2
MF:C18H30O4
MW:310.428406238556
CID:2713098
PubChem ID:142673
Update Time:2025-04-21
p-Diacetylbenzene diethyl ketal Chemical and Physical Properties
Names and Identifiers
-
- 1,4-bis(1,1-diethoxyethyl)benzene
- DTXSID30197058
- p-diacetylbenzene bis(ethyl ketal)
- 47189-08-2
- p-Diacetylbenzene diethyl ketal
-
- Inchi： 1S/C18H30O4/c1-7-19-17(5,20-8-2)15-11-13-16(14-12-15)18(6,21-9-3)22-10-4/h11-14H,7-10H2,1-6H3
- InChI Key： OKYWFWIKJZITQH-UHFFFAOYSA-N
- SMILES： O(CC)C(C)(C1C=CC(=CC=1)C(C)(OCC)OCC)OCC
Computed Properties
- Exact Mass: 310.21440943Da
- Monoisotopic Mass: 310.21440943Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 10
- Complexity: 255
- 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
- Topological Polar Surface Area: 36.9?2
p-Diacetylbenzene diethyl ketal Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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