Cas no 71501-14-9 (Carbonoperoxoic acid,bis(1-methylpropyl) ester)
71501-14-9 structure
Product Name:Carbonoperoxoic acid,bis(1-methylpropyl) ester
CAS No:71501-14-9
MF:C9H18O4
MW:190.236823558807
CID:566987
PubChem ID:22052945
Update Time:2025-04-19
Carbonoperoxoic acid,bis(1-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonoperoxoic acid,bis(1-methylpropyl) ester
- butan-2-yl butan-2-yloxy carbonate
- di-sec-butyl peroxycarbonate
- 2-{[(butan-2-yloxy)carbonyl]peroxy}butane
- EINECS 275-546-8
- SCHEMBL2208988
- DTXSID60991960
- 71501-14-9
- 2-({[(Butan-2-yl)oxy]carbonyl}peroxy)butane
-
- Inchi： 1S/C9H18O4/c1-5-7(3)11-9(10)13-12-8(4)6-2/h7-8H,5-6H2,1-4H3
- InChI Key： IKBVWGOHCLVYTA-UHFFFAOYSA-N
- SMILES： O(C(=O)OOC(C)CC)C(C)CC
Computed Properties
- Exact Mass: 190.12054
- Monoisotopic Mass: 190.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.2
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Carbonoperoxoic acid,bis(1-methylpropyl) ester Related Literature
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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