Cas no 41080-91-5 (2-Iodo-4-methyl-1,3,5-trineopentylbenzene)
41080-91-5 structure
Product Name:2-Iodo-4-methyl-1,3,5-trineopentylbenzene
CAS No:41080-91-5
MF:C22H37I
MW:428.433659315109
CID:926555
PubChem ID:545545
Update Time:2025-04-19
2-Iodo-4-methyl-1,3,5-trineopentylbenzene Chemical and Physical Properties
Names and Identifiers
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- 2-Iodo-4-methyl-1,3,5-trineopentylbenzene
- 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methylbenzene
- DTXSID90337918
- 2-Iodo-4-methyl-1,3,5-trineopentylbenzene #
- 41080-91-5
- Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-iodo-4-methyl-
- USTXXEHEEGDJAG-UHFFFAOYSA-N
-
- Inchi： 1S/C22H37I/c1-15-16(12-20(2,3)4)11-17(13-21(5,6)7)19(23)18(15)14-22(8,9)10/h11H,12-14H2,1-10H3
- InChI Key： USTXXEHEEGDJAG-UHFFFAOYSA-N
- SMILES： IC1=C(C=C(C(C)=C1CC(C)(C)C)CC(C)(C)C)CC(C)(C)C
Computed Properties
- Exact Mass: 428.19400g/mol
- Monoisotopic Mass: 428.19400g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 363
- 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: 8.9
- Topological Polar Surface Area: 0?2
2-Iodo-4-methyl-1,3,5-trineopentylbenzene Related Literature
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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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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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