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125768-95-8 | Peroxide, 1-methoxycyclohexyl 1,1,3,3-tetramethylbutyl (9CI)
CAS No: 125768-95-8 Catalog No: AG000OP6 MDL No:
Product Description
Catalog Number:
AG000OP6
Chemical Name:
Peroxide, 1-methoxycyclohexyl 1,1,3,3-tetramethylbutyl (9CI)
CAS Number:
125768-95-8
Molecular Formula:
C15H30O3
Molecular Weight:
258.3969
IUPAC Name:
1-methoxy-1-(2,4,4-trimethylpentan-2-ylperoxy)cyclohexane
InChI:
InChI=1S/C15H30O3/c1-13(2,3)12-14(4,5)17-18-15(16-6)10-8-7-9-11-15/h7-12H2,1-6H3
InChI Key:
CCMGUROHSFHCIW-UHFFFAOYSA-N
SMILES:
COC1(CCCCC1)OOC(CC(C)(C)C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.219g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.402g/mol
Monoisotopic Mass:
258.219g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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