Mrv1572004251606422D          

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M  END
> <DATABASE_ID>
CHEM009814

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)(C)OO.CCCCCCCC.CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H52N2O4.C8H18.C4H10O2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-3-5-7-8-6-4-2;1-4(2,3)6-5/h21-22,29-30H,9-20H2,1-8H3;3-8H2,1-2H3;5H,1-3H3

> <INCHI_KEY>
FNRJJSFGQVCXEK-UHFFFAOYSA-N

> <FORMULA>
C40H80N2O6

> <MOLECULAR_WEIGHT>
685.088

> <EXACT_MASS>
684.601638304

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
128

> <JCHEM_AVERAGE_POLARIZABILITY>
58.97471046765618

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methylpropane-2-peroxol; bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate; octane

> <ALOGPS_LOGP>
5.13

> <JCHEM_LOGP>
4.636840286

> <ALOGPS_LOGS>
-5.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
10.685823672343444

> <JCHEM_POLAR_SURFACE_AREA>
76.66

> <JCHEM_REFRACTIVITY>
137.22199999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.20e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
octane; tert-butyl hydroperoxide; tinuvin 770

> <JCHEM_VEBER_RULE>
0

> <NAME>
Decanedioic acid, bis(2,2,6,6-tetramethyl-4-piperidinyl) ester, reaction products with tert-Bu hydroperoxide and octane

> <CAS>
129757-67-1

$$$$