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113570-77-7 | Peroxide, bis(2,2,5,5-tetramethylhexyl) (9CI)
CAS No: 113570-77-7 Catalog No: AG00091M MDL No:
Product Description
Catalog Number:
AG00091M
Chemical Name:
Peroxide, bis(2,2,5,5-tetramethylhexyl) (9CI)
CAS Number:
113570-77-7
Molecular Formula:
C20H42O2
Molecular Weight:
314.5463
IUPAC Name:
2,2,5,5-tetramethyl-1-(2,2,5,5-tetramethylhexylperoxy)hexane
InChI:
InChI=1S/C20H42O2/c1-17(2,3)11-13-19(7,8)15-21-22-16-20(9,10)14-12-18(4,5)6/h11-16H2,1-10H3
InChI Key:
JZYMRBFSUVHMND-UHFFFAOYSA-N
SMILES:
CC(COOCC(CCC(C)(C)C)(C)C)(CCC(C)(C)C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.318g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.554g/mol
Monoisotopic Mass:
314.318g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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