Cas no 29089-67-6 (Isononaneperoxoic acid,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester)
29089-67-6 structure
Product Name:Isononaneperoxoic acid,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester
CAS No:29089-67-6
MF:C26H50O6
MW:458.671609401703
CID:283775
PubChem ID:120127
Update Time:2025-04-19
Isononaneperoxoic acid,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Isononaneperoxoic acid,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester
- [2,5-dimethyl-5-(7-methyloctanoylperoxy)hexan-2-yl] 7-methyloctaneperoxoate
- 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)
- 2,5-dimethylhexane-2,5-diyl bis(7-methyloctaneperoxoate)
- NS00052181
- EINECS 249-417-1
- SCHEMBL9850311
- DTXSID70183334
- 29089-67-6
-
- Inchi： 1S/C26H50O6/c1-21(2)15-11-9-13-17-23(27)29-31-25(5,6)19-20-26(7,8)32-30-24(28)18-14-10-12-16-22(3)4/h21-22H,9-20H2,1-8H3
- InChI Key： YFCKFSHPDAWAAH-UHFFFAOYSA-N
- SMILES： O(C(C)(C)CCC(C)(C)OOC(CCCCCC(C)C)=O)OC(CCCCCC(C)C)=O
Computed Properties
- Exact Mass: 458.3609
- Monoisotopic Mass: 458.36073931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 32
- Rotatable Bond Count: 21
- Complexity: 464
- 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: 8.5
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.06
Isononaneperoxoic acid,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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