Mrv1652306031609422D          

 22 22  0  0  0  0            999 V2000
    5.7158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842    2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822    0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    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
    3.5724    2.0625    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
    1.4289    1.6500    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
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    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
   -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
    0.0000    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 13  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16  2  1  0  0  0  0
 16  3  1  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 17  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  2  0  0  0  0
 21  6  1  0  0  0  0
 21 14  1  0  0  0  0
 22 10  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045804

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H31NO4/c1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5/h14H,7-12H2,1-6H3

> <INCHI_KEY>
CTJXKCPBMVLOQI-UHFFFAOYSA-N

> <FORMULA>
C17H31NO4

> <MOLECULAR_WEIGHT>
313.438

> <EXACT_MASS>
313.225308482

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
36.03503128571573

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate

> <ALOGPS_LOGP>
2.48

> <JCHEM_LOGP>
1.4511706159999993

> <ALOGPS_LOGS>
-2.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.537916900529698

> <JCHEM_PKA_STRONGEST_BASIC>
8.54900294080068

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
86.46579999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.00e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Plastic additive 22 CRS

> <CAS>
65447-77-0

$$$$