Cas no 57641-44-8 (3-Pentanone, 1,5-bis(4-methylphenyl)-)
57641-44-8 structure
Product Name:3-Pentanone, 1,5-bis(4-methylphenyl)-
CAS No:57641-44-8
MF:C19H22O
MW:266.377385616302
CID:1605499
PubChem ID:23467797
Update Time:2025-04-21
3-Pentanone, 1,5-bis(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone, 1,5-bis(4-methylphenyl)-
- 1,5-bis(4-methylphenyl)pentan-3-one
- SCHEMBL7338189
- CHEMBL3273580
- DTXSID30634433
- 57641-44-8
-
- Inchi： 1S/C19H22O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
- InChI Key： YABFQBKJLHRNAF-UHFFFAOYSA-N
- SMILES： O=C(CCC1C=CC(C)=CC=1)CCC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 266.16716
- Monoisotopic Mass: 266.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 252
- 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: 4.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Pentanone, 1,5-bis(4-methylphenyl)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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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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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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