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79889-19-3 | Hydroperoxide, 1,1-dimethyl-5-phenylpentyl
CAS No: 79889-19-3 Catalog No: AG004ZE4 MDL No:
Product Description
Catalog Number:
AG004ZE4
Chemical Name:
Hydroperoxide, 1,1-dimethyl-5-phenylpentyl
CAS Number:
79889-19-3
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
(5-hydroperoxy-5-methylhexyl)benzene
InChI:
InChI=1S/C13H20O2/c1-13(2,15-14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9,14H,6-7,10-11H2,1-2H3
InChI Key:
GKBZWKUHHMYZOE-UHFFFAOYSA-N
SMILES:
OOC(CCCCc1ccccc1)(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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