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89071-83-0 | Peroxide, 4-cycloocten-1-yl 1,1-dimethylethyl
CAS No: 89071-83-0 Catalog No: AG0040OJ MDL No:
Product Description
Catalog Number:
AG0040OJ
Chemical Name:
Peroxide, 4-cycloocten-1-yl 1,1-dimethylethyl
CAS Number:
89071-83-0
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
5-tert-butylperoxycyclooctene
InChI:
InChI=1S/C12H22O2/c1-12(2,3)14-13-11-9-7-5-4-6-8-10-11/h4-5,11H,6-10H2,1-3H3
InChI Key:
AOFZTLXGNKJMPM-UHFFFAOYSA-N
SMILES:
CC(OOC1CCCC=CCC1)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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