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85981-78-8 | Hydroperoxide, 1,1-dimethyl-3-(2,4,6-trimethylphenyl)propyl
CAS No: 85981-78-8 Catalog No: AG004Q4F MDL No:
Product Description
Catalog Number:
AG004Q4F
Chemical Name:
Hydroperoxide, 1,1-dimethyl-3-(2,4,6-trimethylphenyl)propyl
CAS Number:
85981-78-8
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
2-(3-hydroperoxy-3-methylbutyl)-1,3,5-trimethylbenzene
InChI:
InChI=1S/C14H22O2/c1-10-8-11(2)13(12(3)9-10)6-7-14(4,5)16-15/h8-9,15H,6-7H2,1-5H3
InChI Key:
IFGQUKXLMPYCRN-UHFFFAOYSA-N
SMILES:
OOC(CCc1c(C)cc(cc1C)C)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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