Mrv1652306031609382D          

 26 26  0  0  0  0            999 V2000
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   -2.6737   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6704   -1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    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
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    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
    6.4302   -1.2375    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
   -2.1434   -2.8875    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
   -2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  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
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  1  1  0  0  0  0
 20  2  1  0  0  0  0
 20 15  1  0  0  0  0
 21  3  1  0  0  0  0
 21  4  1  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 24 19  2  0  0  0  0
 25  6  1  0  0  0  0
 25 18  1  0  0  0  0
 26 17  1  0  0  0  0
 26 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015233

> <DATABASE_NAME>
chemdb

> <SMILES>
COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3

> <INCHI_KEY>
OTCWVYFQGYOYJO-UHFFFAOYSA-N

> <FORMULA>
C21H39NO4

> <MOLECULAR_WEIGHT>
369.546

> <EXACT_MASS>
369.28790874

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
44.642297620546415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methyl 1,2,2,6,6-pentamethylpiperidin-4-yl decanedioate

> <ALOGPS_LOGP>
5.24

> <JCHEM_LOGP>
3.9818266476666655

> <ALOGPS_LOGS>
-4.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.860180200086793

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
104.24629999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.67e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl 1,2,2,6,6-pentamethylpiperidin-4-yl decanedioate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Decanedioic acid, methyl 1,2,2,6,6-pentamethyl-4-piperidinyl ester

> <CAS>
82919-37-7

> <SYNONYMS>
Methyl1.2.2.6.6pentamethyl-2.4piperidyl sebacate

$$$$