Mrv1572004251605562D          

 28 27  0  0  0  0            999 V2000
   -8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4368    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1395    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7223    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0078    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2816    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5671    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2934    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8526    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8644    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1499    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7210    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5789    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4355    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1487    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 11  1  0  0  0  0
 23 13  1  0  0  0  0
 24 12  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 16  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009296

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCOCCOCCOCCOCCOCCOCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C22H46O6/c1-3-5-7-8-9-10-12-24-14-16-26-18-20-28-22-21-27-19-17-25-15-13-23-11-6-4-2/h3-22H2,1-2H3

> <INCHI_KEY>
DWUFLCRYKMCYCB-UHFFFAOYSA-N

> <FORMULA>
C22H46O6

> <MOLECULAR_WEIGHT>
406.604

> <EXACT_MASS>
406.329439201

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
52.90359996743505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,8,11,14,17,20-hexaoxaoctacosane

> <ALOGPS_LOGP>
3.91

> <JCHEM_LOGP>
4.315744582666665

> <ALOGPS_LOGS>
-5.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3712173829685415

> <JCHEM_POLAR_SURFACE_AREA>
55.38000000000001

> <JCHEM_REFRACTIVITY>
114.38119999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.05e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,8,11,14,17,20-hexaoxaoctacosane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Poly(oxy-1,2-ethanediyl), .alpha.-butyl-.omega.-(octyloxy)-

> <CAS>
109075-72-1

$$$$