Mrv1572004191603352D          

 34 35  0  0  0  0            999 V2000
   10.9992   -1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5295   -2.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4723   -3.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5329   -3.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111   -2.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414   -1.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842    0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 21 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25  1  1  0  0  0  0
 25  2  1  0  0  0  0
 25 17  1  0  0  0  0
 26  3  1  0  0  0  0
 26  4  1  0  0  0  0
 26 18  1  0  0  0  0
 27  5  1  0  0  0  0
 27  6  1  0  0  0  0
 27 19  1  0  0  0  0
 28  7  1  0  0  0  0
 28  8  1  0  0  0  0
 28 20  1  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31 23  2  0  0  0  0
 32 24  2  0  0  0  0
 33 21  1  0  0  0  0
 33 23  1  0  0  0  0
 34 22  1  0  0  0  0
 34 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012639

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C28H52N2O4/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/h21-22,29-30H,9-20H2,1-8H3

> <INCHI_KEY>
XITRBUPOXXBIJN-UHFFFAOYSA-N

> <FORMULA>
C28H52N2O4

> <MOLECULAR_WEIGHT>
480.734

> <EXACT_MASS>
480.392708162

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
58.97471046765618

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate

> <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>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tinuvin 770

> <JCHEM_VEBER_RULE>
0

> <NAME>
Decanedioic acid, bis(2,2,6,6-tetramethyl-4-piperidinyl) ester

> <CAS>
52829-07-9

> <SYNONYMS>
bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate; Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate

$$$$