Cas no 124350-67-0 (Benzenecarboperoxoicacid, tert-hexyl ester)
124350-67-0 structure
Product Name:Benzenecarboperoxoicacid, tert-hexyl ester
CAS No:124350-67-0
MF:C13H18O3
MW:222.280224323273
CID:159789
PubChem ID:18688557
Update Time:2025-04-19
Benzenecarboperoxoicacid, tert-hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboperoxoicacid, tert-hexyl ester
- 2-methylpentan-2-yl benzenecarboperoxoate
- Perhexyl Z
- tert-Hexyl peroxybenzoate
- t-Hexyl peroxybenzoate
- 124350-67-0
- SCHEMBL28733
- DTXSID80595601
-
- Inchi： 1S/C13H18O3/c1-4-10-13(2,3)16-15-12(14)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
- InChI Key： WXDJDZIIPSOZAH-UHFFFAOYSA-N
- SMILES： O(C(C)(C)CCC)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 222.12600
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 217
- 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: 3.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 3.35370
Benzenecarboperoxoicacid, tert-hexyl ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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