Mrv1572004251606012D          

 37 40  0  0  0  0            999 V2000
    3.1282   -3.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0683   -3.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -0.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120   -1.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9244    3.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9844    3.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9202    2.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758   -2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -0.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7039    2.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3748    1.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471   -1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6751    2.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762   -2.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4324    3.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1032    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478   -2.1109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1320    2.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175    0.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7409    0.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -0.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.6243    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
 20 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 21 17  1  0  0  0  0
 24  1  1  0  0  0  0
 24  2  1  0  0  0  0
 24 14  1  0  0  0  0
 25  3  1  0  0  0  0
 25  4  1  0  0  0  0
 25 15  1  0  0  0  0
 26  5  1  0  0  0  0
 26  6  1  0  0  0  0
 26 16  1  0  0  0  0
 27  7  1  0  0  0  0
 27  8  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 28 19  1  0  0  0  0
 28 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 12  1  0  0  0  0
 29 13  1  0  0  0  0
 30 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 26  1  0  0  0  0
 31 27  1  0  0  0  0
 32 22  2  0  0  0  0
 33 23  2  0  0  0  0
 34 18  1  0  0  0  0
 34 29  1  0  0  0  0
 35 19  1  0  0  0  0
 35 29  1  0  0  0  0
 36 20  1  0  0  0  0
 36 22  1  0  0  0  0
 37 21  1  0  0  0  0
 37 23  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009336

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)CC(CC(C)(C)N1)OC(=O)C1(COC2(CCCCC2)OC1)C(=O)OC1CC(C)(C)NC(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H50N2O6/c1-24(2)14-20(15-25(3,4)30-24)36-22(32)28(18-34-29(35-19-28)12-10-9-11-13-29)23(33)37-21-16-26(5,6)31-27(7,8)17-21/h20-21,30-31H,9-19H2,1-8H3

> <INCHI_KEY>
HDFZSCWOTBYTQF-UHFFFAOYSA-N

> <FORMULA>
C29H50N2O6

> <MOLECULAR_WEIGHT>
522.727

> <EXACT_MASS>
522.366887338

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
59.88800057655658

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-3,3-dicarboxylate

> <ALOGPS_LOGP>
3.51

> <JCHEM_LOGP>
3.5312658960000003

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
10.685823300811643

> <JCHEM_POLAR_SURFACE_AREA>
95.12

> <JCHEM_REFRACTIVITY>
141.63509999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.75e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-3,3-dicarboxylate

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,5-Dioxaspiro[5.5]undecane-3,3-dicarboxylic acid, 3,3-bis(2,2,6,6-tetramethyl-4-piperidinyl) ester

> <CAS>
110843-97-5

$$$$