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175426-14-9 | Octaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester
CAS No: 175426-14-9 Catalog No: AG0020YX MDL No:
Product Description
Catalog Number:
AG0020YX
Chemical Name:
Octaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester
CAS Number:
175426-14-9
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
2,4,4-trimethylpentan-2-yl octaneperoxoate
InChI:
InChI=1S/C16H32O3/c1-7-8-9-10-11-12-14(17)18-19-16(5,6)13-15(2,3)4/h7-13H2,1-6H3
InChI Key:
WHROXBMQGONCIR-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OOC(CC(C)(C)C)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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