Cas no 65644-30-6 (Hexanedioic acid, 2-methyl-5-methylene-, bis(2-ethylhexyl) ester)
65644-30-6 structure
Product Name:Hexanedioic acid, 2-methyl-5-methylene-, bis(2-ethylhexyl) ester
CAS No:65644-30-6
MF:C24H44O4
MW:396.603768348694
CID:388973
PubChem ID:71370363
Update Time:2025-04-19
Hexanedioic acid, 2-methyl-5-methylene-, bis(2-ethylhexyl) ester Chemical and Physical Properties
Names and Identifiers
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- Hexanedioic acid, 2-methyl-5-methylene-, bis(2-ethylhexyl) ester
- bis(2-ethylhexyl) 2-methyl-5-methylidenehexanedioate
- DTXSID70793351
- 65644-30-6
-
- Inchi： 1S/C24H44O4/c1-7-11-13-21(9-3)17-27-23(25)19(5)15-16-20(6)24(26)28-18-22(10-4)14-12-8-2/h20-22H,5,7-18H2,1-4,6H3
- InChI Key： NNROXEIOTSCQAI-UHFFFAOYSA-N
- SMILES： O(C(C(C)CCC(=C)C(=O)OCC(CC)CCCC)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 396.32395988g/mol
- Monoisotopic Mass: 396.32395988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 19
- Complexity: 444
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 52.6?2
Hexanedioic acid, 2-methyl-5-methylene-, bis(2-ethylhexyl) ester Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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